E634-0444 Screening compound: 4-(2,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole

E634-0444 Screening compound: 4-(2,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole
E634-0444 Screening compound: 4-(2,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-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 E634-0444
4-(2,5-dimethylphenyl)-3-{[(3-methoxyphenyl)methyl]sulfanyl}-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

E634-0444

Molecular Formula

C25H24N4OS2 (C25 H24 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(-n2c(SCc3cc(OC)ccc3)nnc2-c2cc(scc3)c3n2C)c(C)cc1

InChI

InChI=1S/C25H24N4OS2/c1-16-8-9-17(2)21(12-16)29-24(22-14-23-20(28(22)3)10-11-31-23)26-27-25(29)32-15-18-6-5-7-19(13-18)30-4/h5-14H,15H2,1-4H3

InChI Key

YADLKKIUEVMNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.240

Distribution Coefficient, logD

6.240

Water Solubility, LogSw

-5.63

Polar Surface Area

34.509

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with E634-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E634-0444?
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What is the minimum amount of E634-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-0444
  • 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 E634-0444 available by request