3237-0717 Screening compound: 2-(4-{[3-carboxy-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-3,3-dimethylbutanamido)-4-(4-methylphenyl)thiophene-3-carboxylic acid

3237-0717 Screening compound: 2-(4-{[3-carboxy-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-3,3-dimethylbutanamido)-4-(4-methylphenyl)thiophene-3-carboxylic acid
3237-0717 Screening compound: 2-(4-{[3-carboxy-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-3,3-dimethylbutanamido)-4-(4-methylphenyl)thiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0717
2-(4-{[3-carboxy-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-3,3-dimethylbutanamido)-4-(4-methylphenyl)thiophene-3-carboxylic acid

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

3237-0717

Molecular Formula

C31H30N2O6S2 (C31 H30 N2 O6 S2)

Compound Name

2-(4-{[3-carboxy-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-3,3-dimethylbutanamido)-4-(4-methylphenyl)thiophene-3-carboxylic acid

IUPAC name

2-(4-{[3-carboxy-4-(4-methylphenyl)thiophen-2-yl]carbamoyl}-33-dimethylbutanamido)-4-(4-methylphenyl)thiophene-3-carboxylic acid

SMILES

CC(C)(CC(Nc1c(C(O)=O)c(-c2ccc(C)cc2)cs1)=O)CC(Nc1c(C(O)=O)c(-c2ccc(C)cc2)cs1)=O

InChI

InChI=1S/C31H30N2O6S2/c1-17-5-9-19(10-6-17)21-15-40-27(25(21)29(36)37)32-23(34)13-31(3,4)14-24(35)33-28-26(30(38)39)22(16-41-28)20-11-7-18(2)8-12-20/h5-12,15-16H,13-14H2,1-4H3,(H,32,34)(H,33,35)(H,36,37)(H,38,39)

InChI Key

AZPFHONVUALUSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

2.519

Water Solubility, LogSw

-5.47

Polar Surface Area

102.127

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

-8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

3237-0717 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • 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
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 3237-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0717?
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What is the minimum amount of 3237-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0717
  • 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 3237-0717 available by request