D319-0085 Screening compound: N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide

D319-0085 Screening compound: N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide
D319-0085 Screening compound: N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0085
N-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-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

D319-0085

Molecular Formula

C14H11N5OS3 (C14 H11 N5 OS3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1csnn1)Nc1nnc(SC/C=C/c2ccccc2)s1

InChI

InChI=1S/C14H11N5OS3/c20-12(11-9-22-19-16-11)15-13-17-18-14(23-13)21-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H,15,17,20)

InChI Key

MUCFQSSQHQPJSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

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

4.027

Distribution Coefficient, logD

3.990

Water Solubility, LogSw

-4.24

Polar Surface Area

67.569

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

D319-0085 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D319-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0085?
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What is the minimum amount of D319-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0085
  • 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 D319-0085 available by request