D319-0481 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide

D319-0481 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide
D319-0481 Screening compound: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0481
N-(4,6-dimethyl-1,3-benzothiazol-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

D319-0481

Molecular Formula

C12H10N4OS2 (C12 H10 N4 OS2)

Compound Name

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide

IUPAC name

N-(46-dimethyl-13-benzothiazol-2-yl)-123-thiadiazole-4-carboxamide

SMILES

Cc(cc1C)cc2c1nc(NC(c1csnn1)=O)s2

InChI

InChI=1S/C12H10N4OS2/c1-6-3-7(2)10-9(4-6)19-12(13-10)14-11(17)8-5-18-16-15-8/h3-5H,1-2H3,(H,13,14,17)

InChI Key

XPMZJZVNICFLAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.511

Water Solubility, LogSw

-3.70

Polar Surface Area

55.467

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D319-0481 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D319-0481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0481?
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What is the minimum amount of D319-0481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0481
  • 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 D319-0481 available by request