4483-3296 Screening compound: 2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

4483-3296 Screening compound: 2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
4483-3296 Screening compound: 2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3296
2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

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

4483-3296

Molecular Formula

C24H26N2O8 (C24 H26 N2 O8)

Compound Name

2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

IUPAC name

2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

SMILES

CC(C)COC(c(cc1)ccc1NC(CCC(OCC(c1cc([N+]([O-])=O)c(C)cc1)=O)=O)=O)=O

InChI

InChI=1S/C24H26N2O8/c1-15(2)13-34-24(30)17-6-8-19(9-7-17)25-22(28)10-11-23(29)33-14-21(27)18-5-4-16(3)20(12-18)26(31)32/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,25,28)

InChI Key

QWJLIXRVGOCBMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.39

Polar Surface Area

111.107

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4483-3296 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 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 4483-3296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3296?
Check Price and Availability of 4483-3296, 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 4483-3296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3296
  • 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 4483-3296 available by request