0831-1310 Screening compound: 3,5-dichloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide

0831-1310 Screening compound: 3,5-dichloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
0831-1310 Screening compound: 3,5-dichloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1310
3,5-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

0831-1310

Molecular Formula

C12H11Cl2N3OS (C12 H11 Cl2 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nnc(NC(c2cc(Cl)cc(Cl)c2)=O)s1

InChI

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

InChI Key

NDVHAFJXHKKUHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992784

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

4.583

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-4.71

Polar Surface Area

46.875

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0831-1310 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0831-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1310?
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What is the minimum amount of 0831-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1310
  • 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 0831-1310 available by request