8010-2149 Screening compound: N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide

8010-2149 Screening compound: N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide
8010-2149 Screening compound: N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2149
N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide

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

8010-2149

Molecular Formula

C17H14BrN3OS2 (C17 H14 BrN3 OS2)

Compound Name

N-{5-[(benzylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-4-bromobenzamide

IUPAC name

N-{5-[(benzylsulfanyl)methyl]-134-thiadiazol-2-yl}-4-bromobenzamide

SMILES

O=C(c(cc1)ccc1Br)Nc1nnc(CSCc2ccccc2)s1

InChI

InChI=1S/C17H14BrN3OS2/c18-14-8-6-13(7-9-14)16(22)19-17-21-20-15(24-17)11-23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21,22)

InChI Key

SZEGPMRCPJMBKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01130471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-5.00

Polar Surface Area

47.098

Acid Dissociation Constant (pKa)

5.79

Base Dissociation Constant (pKb)

-5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8010-2149 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-2149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2149?
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What is the minimum amount of 8010-2149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2149
  • 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 8010-2149 available by request