D319-0313 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide

D319-0313 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
D319-0313 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0313
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-4-methyl-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

D319-0313

Molecular Formula

C16H16N6O3S2 (C16 H16 N6 O3 S2)

Compound Name

N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide

IUPAC name

N-{4-[(26-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-4-methyl-123-thiadiazole-5-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2S(Nc2nc(C)nc(C)c2)(=O)=O)=O)snn1

InChI

InChI=1S/C16H16N6O3S2/c1-9-8-14(18-11(3)17-9)21-27(24,25)13-6-4-12(5-7-13)19-16(23)15-10(2)20-22-26-15/h4-8H,1-3H3,(H,19,23)(H,17,18,21)

InChI Key

AYDBLOBAFXHDTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.185

Distribution Coefficient, logD

0.315

Water Solubility, LogSw

-2.49

Polar Surface Area

104.980

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D319-0313 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 D319-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0313?
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What is the minimum amount of D319-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0313
  • 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 D319-0313 available by request