E634-0449 Screening compound: 4-(2,5-dimethylphenyl)-3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole

E634-0449 Screening compound: 4-(2,5-dimethylphenyl)-3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-{4-methyl-4H-thieno[3,2-b]pyrrol-5-yl}-4H-1,2,4-triazole
E634-0449 Screening compound: 4-(2,5-dimethylphenyl)-3-[({imidazo[1,2-a]pyridin-2-yl}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 E634-0449
4-(2,5-dimethylphenyl)-3-[({imidazo[1,2-a]pyridin-2-yl}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

E634-0449

Molecular Formula

C25H22N6S2 (C25 H22 N6 S2)

Compound Name

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

IUPAC name

4-(25-dimethylphenyl)-3-[({imidazo[12-a]pyridin-2-yl}methyl)sulfanyl]-5-{4-methyl-4H-thieno[32-b]pyrrol-5-yl}-4H-124-triazole

SMILES

Cc1cc(-n2c(SCc3cn(cccc4)c4n3)nnc2-c2cc(scc3)c3n2C)c(C)cc1

InChI

InChI=1S/C25H22N6S2/c1-16-7-8-17(2)20(12-16)31-24(21-13-22-19(29(21)3)9-11-32-22)27-28-25(31)33-15-18-14-30-10-5-4-6-23(30)26-18/h4-14H,15H2,1-3H3

InChI Key

HZMKQMZDJDZDPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

5.577

Water Solubility, LogSw

-5.42

Polar Surface Area

37.128

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E634-0449 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E634-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E634-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-0449
  • 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 E634-0449 available by request