E634-0433 Screening compound: 2-{[4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylacetamide

E634-0433 Screening compound: 2-{[4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylacetamide
E634-0433 Screening compound: 2-{[4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E634-0433
2-{[4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylacetamide

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

E634-0433

Molecular Formula

C26H25N5OS2 (C26 H25 N5 OS2)

Compound Name

2-{[4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methyl-N-phenylacetamide

IUPAC name

2-{[4-(25-dimethylphenyl)-5-{4-methyl-4H-thieno[32-b]pyrrol-5-yl}-4H-124-triazol-3-yl]sulfanyl}-N-methyl-N-phenylacetamide

SMILES

Cc1cc(-n2c(SCC(N(C)c3ccccc3)=O)nnc2-c2cc(scc3)c3n2C)c(C)cc1

InChI

InChI=1S/C26H25N5OS2/c1-17-10-11-18(2)21(14-17)31-25(22-15-23-20(30(22)4)12-13-33-23)27-28-26(31)34-16-24(32)29(3)19-8-6-5-7-9-19/h5-15H,16H2,1-4H3

InChI Key

RPXTUPITXABGMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

5.025

Water Solubility, LogSw

-4.66

Polar Surface Area

42.079

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E634-0433 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E634-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E634-0433?
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What is the minimum amount of E634-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-0433
  • 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 E634-0433 available by request