D058-0064 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid

D058-0064 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
D058-0064 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0064
2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid

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

D058-0064

Molecular Formula

C9H7BrN2O2S (C9 H7 BrN2 O2 S)

Compound Name

2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid

IUPAC name

2-[(5-bromo-1H-13-benzodiazol-2-yl)sulfanyl]acetic acid

SMILES

OC(CSc1nc(cc(cc2)Br)c2[nH]1)=O

InChI

InChI=1S/C9H7BrN2O2S/c10-5-1-2-6-7(3-5)12-9(11-6)15-4-8(13)14/h1-3H,4H2,(H,11,12)(H,13,14)

InChI Key

YZUCCCLXSHUOBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.14

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.724

Distribution Coefficient, logD

-1.720

Water Solubility, LogSw

-2.33

Polar Surface Area

46.635

Acid Dissociation Constant (pKa)

3.96

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D058-0064 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D058-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0064?
Check Price and Availability of D058-0064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D058-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0064
  • 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 D058-0064 available by request