0831-1308 Screening compound: 2,4-dichloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

0831-1308 Screening compound: 2,4-dichloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
0831-1308 Screening compound: 2,4-dichloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1308
2,4-dichloro-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

0831-1308

Molecular Formula

C12H11Cl2N3OS (C12 H11 Cl2 N3 OS)

Compound Name

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

IUPAC name

24-dichloro-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]benzamide

SMILES

CC(C)c1nnc(NC(c(ccc(Cl)c2)c2Cl)=O)s1

InChI

InChI=1S/C12H11Cl2N3OS/c1-6(2)11-16-17-12(19-11)15-10(18)8-4-3-7(13)5-9(8)14/h3-6H,1-2H3,(H,15,17,18)

InChI Key

XSHFYCXUJUQGQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-4.62

Polar Surface Area

46.875

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0831-1308 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0831-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1308?
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What is the minimum amount of 0831-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1308
  • 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 0831-1308 available by request