4296-0320 Screening compound: 3-amino-N2-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methyl-N5-phenylthieno[2,3-b]pyridine-2,5-dicarboxamide

4296-0320 Screening compound: 3-amino-N2-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methyl-N5-phenylthieno[2,3-b]pyridine-2,5-dicarboxamide
4296-0320 Screening compound: 3-amino-N2-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methyl-N5-phenylthieno[2,3-b]pyridine-2,5-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0320
3-amino-N2-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methyl-N5-phenylthieno[2,3-b]pyridine-2,5-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

4296-0320

Molecular Formula

C32H30N4O3S (C32 H30 N4 O3 S)

Compound Name

3-amino-N2-(3,4-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methyl-N5-phenylthieno[2,3-b]pyridine-2,5-dicarboxamide

IUPAC name

3-amino-N2-(34-dimethylphenyl)-4-(4-ethoxyphenyl)-6-methyl-N5-phenylthieno[23-b]pyridine-25-dicarboxamide

SMILES

CCOc(cc1)ccc1-c1c(c(N)c(C(Nc2cc(C)c(C)cc2)=O)s2)c2nc(C)c1C(Nc1ccccc1)=O

InChI

InChI=1S/C32H30N4O3S/c1-5-39-24-15-12-21(13-16-24)26-25(30(37)35-22-9-7-6-8-10-22)20(4)34-32-27(26)28(33)29(40-32)31(38)36-23-14-11-18(2)19(3)17-23/h6-17H,5,33H2,1-4H3,(H,35,37)(H,36,38)

InChI Key

SKRURMMDUMHCJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04635942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.225

Distribution Coefficient, logD

7.225

Water Solubility, LogSw

-5.94

Polar Surface Area

82.956

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

4296-0320 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4296-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0320?
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What is the minimum amount of 4296-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0320
  • 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 4296-0320 available by request