8008-0695 Screening compound: 5-(2,2-dimethylpropanamido)-N1,N3-bis({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl})benzene-1,3-dicarboxamide

8008-0695 Screening compound: 5-(2,2-dimethylpropanamido)-N1,N3-bis({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl})benzene-1,3-dicarboxamide
8008-0695 Screening compound: 5-(2,2-dimethylpropanamido)-N1,N3-bis({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl})benzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0695
5-(2,2-dimethylpropanamido)-N1,N3-bis({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl})benzene-1,3-dicarboxamide

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

8008-0695

Molecular Formula

C43H37N3O5 (C43 H37 N3 O5)

Compound Name

5-(2,2-dimethylpropanamido)-N1,N3-bis({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl})benzene-1,3-dicarboxamide

IUPAC name

5-(22-dimethylpropanamido)-N1N3-bis({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl})benzene-13-dicarboxamide

SMILES

CC(C)(C)C(Nc1cc(C(Nc2cc(/C=C/C(c3ccccc3)=O)ccc2)=O)cc(C(Nc2cc(/C=C/C(c3ccccc3)=O)ccc2)=O)c1)=O

InChI

InChI=1S/C43H37N3O5/c1-43(2,3)42(51)46-37-27-33(40(49)44-35-18-10-12-29(24-35)20-22-38(47)31-14-6-4-7-15-31)26-34(28-37)41(50)45-36-19-11-13-30(25-36)21-23-39(48)32-16-8-5-9-17-32/h4-28H,1-3H3,(H,44,49)(H,45,50)(H,46,51)

InChI Key

WUSQDIVSEAVOHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

675.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.510

Distribution Coefficient, logD

8.508

Water Solubility, LogSw

-5.84

Polar Surface Area

95.734

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.30

8008-0695 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0695?
Check Price and Availability of 8008-0695, 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 8008-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0695
  • 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 8008-0695 available by request