0831-1322 Screening compound: 4-benzoyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

0831-1322 Screening compound: 4-benzoyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
0831-1322 Screening compound: 4-benzoyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1322
4-benzoyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

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

0831-1322

Molecular Formula

C19H17N3O2S (C19 H17 N3 O2 S)

Compound Name

4-benzoyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

4-benzoyl-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CC(C)c1nnc(NC(c(cc2)ccc2C(c2ccccc2)=O)=O)s1

InChI

InChI=1S/C19H17N3O2S/c1-12(2)18-21-22-19(25-18)20-17(24)15-10-8-14(9-11-15)16(23)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22,24)

InChI Key

WTKMVQZPHUKFMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

3.384

Water Solubility, LogSw

-4.25

Polar Surface Area

60.342

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

0831-1322 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1322?
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What is the minimum amount of 0831-1322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1322
  • 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 0831-1322 available by request