D058-0129 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic acid

D058-0129 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic acid
D058-0129 Screening compound: 2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D058-0129
2-[(5-bromo-1H-1,3-benzodiazol-2-yl)sulfanyl]butanoic 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

D058-0129

Molecular Formula

C11H11BrN2O2S (C11 H11 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H11BrN2O2S/c1-2-9(10(15)16)17-11-13-7-4-3-6(12)5-8(7)14-11/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1

InChI Key

BEVRXLFNUGYRCN-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05838206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

-0.387

Water Solubility, LogSw

-3.11

Polar Surface Area

46.660

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D058-0129 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with D058-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D058-0129?
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What is the minimum amount of D058-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D058-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D058-0129
  • 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 D058-0129 available by request