D319-0064 Screening compound: N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-thiadiazole-4-carboxamide

D319-0064 Screening compound: N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-thiadiazole-4-carboxamide
D319-0064 Screening compound: N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0064
N-[5-(prop-2-en-1-ylsulfanyl)-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

D319-0064

Molecular Formula

C8H7N5OS3 (C8 H7 N5 OS3)

Compound Name

N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-thiadiazole-4-carboxamide

IUPAC name

N-[5-(prop-2-en-1-ylsulfanyl)-134-thiadiazol-2-yl]-123-thiadiazole-4-carboxamide

SMILES

C=CCSc1nnc(NC(c2csnn2)=O)s1

InChI

InChI=1S/C8H7N5OS3/c1-2-3-15-8-12-11-7(17-8)9-6(14)5-4-16-13-10-5/h2,4H,1,3H2,(H,9,11,14)

InChI Key

ROMMWOPXMATFNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.37

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

2.485

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.73

Polar Surface Area

67.841

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D319-0064 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D319-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0064?
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What is the minimum amount of D319-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0064
  • 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 D319-0064 available by request