4408-0649 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide

4408-0649 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide
4408-0649 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4408-0649
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide

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

4408-0649

Molecular Formula

C15H12BrN3OS (C15 H12 BrN3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-(4-bromophenyl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)Nc(cc1)ccc1Br

InChI

InChI=1S/C15H12BrN3OS/c16-10-5-7-11(8-6-10)17-14(20)9-21-15-18-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H,17,20)(H,18,19)

InChI Key

SPBDQUVZLDTQNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00413459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.11

Polar Surface Area

41.129

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

4408-0649 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4408-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4408-0649?
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What is the minimum amount of 4408-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4408-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4408-0649
  • 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 4408-0649 available by request