D058-0128 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid

D058-0128 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid
D058-0128 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0128
2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic 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

D058-0128

Molecular Formula

C10H9BrN2O2S (C10 H9 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(O)=O)Sc1nc(cc(cc2)Br)c2[nH]1

InChI

InChI=1S/C10H9BrN2O2S/c1-5(9(14)15)16-10-12-7-3-2-6(11)4-8(7)13-10/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m0/s1

InChI Key

QQRYPZOCADTCGF-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD05838205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.16

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

2.272

Distribution Coefficient, logD

-0.934

Water Solubility, LogSw

-2.69

Polar Surface Area

46.660

Acid Dissociation Constant (pKa)

4.19

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D058-0128 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D058-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0128?
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What is the minimum amount of D058-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0128
  • 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 D058-0128 available by request