D319-0080 Screening compound: N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide

D319-0080 Screening compound: N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide
D319-0080 Screening compound: N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0080
N-(5-{[(2-fluorophenyl)methyl]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

D319-0080

Molecular Formula

C12H8FN5OS3 (C12 H8 FN5 OS3)

Compound Name

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

IUPAC name

N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-123-thiadiazole-4-carboxamide

SMILES

O=C(c1csnn1)Nc1nnc(SCc(cccc2)c2F)s1

InChI

InChI=1S/C12H8FN5OS3/c13-8-4-2-1-3-7(8)5-20-12-17-16-11(22-12)14-10(19)9-6-21-18-15-9/h1-4,6H,5H2,(H,14,16,19)

InChI Key

AFJZEEHPGSXBFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.515

Water Solubility, LogSw

-3.65

Polar Surface Area

67.569

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D319-0080 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D319-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0080?
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What is the minimum amount of D319-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0080
  • 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 D319-0080 available by request