D319-0389 Screening compound: 4-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide

D319-0389 Screening compound: 4-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide
D319-0389 Screening compound: 4-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0389
4-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide

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

D319-0389

Molecular Formula

C15H13N5OS3 (C15 H13 N5 OS3)

Compound Name

4-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-5-carboxamide

IUPAC name

4-methyl-N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-134-thiadiazol-2-yl)-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(Nc2nnc(SC/C=C/c3ccccc3)s2)=O)snn1

InChI

InChI=1S/C15H13N5OS3/c1-10-12(24-20-17-10)13(21)16-14-18-19-15(23-14)22-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3,(H,16,18,21)

InChI Key

LQBLGNMXOGWJML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.16

Polar Surface Area

68.407

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D319-0389 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 D319-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0389?
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What is the minimum amount of D319-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0389
  • 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 D319-0389 available by request