E634-0457 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole

E634-0457 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole
E634-0457 Screening compound: 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E634-0457
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2,5-dimethylphenyl)-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole

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

E634-0457

Molecular Formula

C24H21ClN4S2 (C24 H21 ClN4 S2)

Compound Name

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

IUPAC name

3-{[(4-chlorophenyl)methyl]sulfanyl}-4-(25-dimethylphenyl)-5-{4-methyl-4H-thieno[32-b]pyrrol-5-yl}-4H-124-triazole

SMILES

Cc1cc(-n2c(SCc(cc3)ccc3Cl)nnc2-c2cc(scc3)c3n2C)c(C)cc1

InChI

InChI=1S/C24H21ClN4S2/c1-15-4-5-16(2)20(12-15)29-23(21-13-22-19(28(21)3)10-11-30-22)26-27-24(29)31-14-17-6-8-18(25)9-7-17/h4-13H,14H2,1-3H3

InChI Key

JLKAUQYIKZPWLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.04

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.502

Distribution Coefficient, logD

6.502

Water Solubility, LogSw

-6.45

Polar Surface Area

26.966

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E634-0457 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E634-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-0457
  • 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 E634-0457 available by request