8007-6528 Screening compound: 4-[(2,2-dimethylpropanoyl)amino]-N-(3-{(E)-3-[3-({4-[(2,2-dimethylpropanoyl)amino]benzoyl}amino)phenyl]-3-oxo-1-propenyl}phenyl)benzamide

8007-6528 Screening compound: 4-[(2,2-dimethylpropanoyl)amino]-N-(3-{(E)-3-[3-({4-[(2,2-dimethylpropanoyl)amino]benzoyl}amino)phenyl]-3-oxo-1-propenyl}phenyl)benzamide
8007-6528 Screening compound: 4-[(2,2-dimethylpropanoyl)amino]-N-(3-{(E)-3-[3-({4-[(2,2-dimethylpropanoyl)amino]benzoyl}amino)phenyl]-3-oxo-1-propenyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6528
4-[(2,2-dimethylpropanoyl)amino]-N-(3-{(E)-3-[3-({4-[(2,2-dimethylpropanoyl)amino]benzoyl}amino)phenyl]-3-oxo-1-propenyl}phenyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8007-6528

Molecular Formula

C39H40N4O5 (C39 H40 N4 O5)

Compound Name

4-[(2,2-dimethylpropanoyl)amino]-N-(3-{(E)-3-[3-({4-[(2,2-dimethylpropanoyl)amino]benzoyl}amino)phenyl]-3-oxo-1-propenyl}phenyl)benzamide

IUPAC name

4-(22-dimethylpropanamido)-N-{3-[(1E)-3-{3-[4-(22-dimethylpropanamido)benzamido]phenyl}-3-oxoprop-1-en-1-yl]phenyl}benzamide

SMILES

CC(C)(C)C(Nc(cc1)ccc1C(Nc1cccc(/C=C/C(c2cccc(NC(c(cc3)ccc3NC(C(C)(C)C)=O)=O)c2)=O)c1)=O)=O

InChI

InChI=1S/C39H40N4O5/c1-38(2,3)36(47)42-29-18-14-26(15-19-29)34(45)40-31-11-7-9-25(23-31)13-22-33(44)28-10-8-12-32(24-28)41-35(46)27-16-20-30(21-17-27)43-37(48)39(4,5)6/h7-24H,1-6H3,(H,40,45)(H,41,46)(H,42,47)(H,43,48)

InChI Key

UNWPWDRKCSWISV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00779559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.77

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.791

Distribution Coefficient, logD

6.787

Water Solubility, LogSw

-5.77

Polar Surface Area

106.122

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.51

8007-6528 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-6528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6528?
Check Price and Availability of 8007-6528, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8007-6528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6528
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8007-6528 available by request