D012-0095 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)propanoic acid

D012-0095 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)propanoic acid
D012-0095 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0095
2-(1H-1,3-benzodiazol-1-yl)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

D012-0095

Molecular Formula

C10H10N2O2 (C10 H10 N2 O2)

Compound Name

2-(1H-1,3-benzodiazol-1-yl)propanoic acid

IUPAC name

2-(1H-13-benzodiazol-1-yl)propanoic acid

SMILES

CC(C(O)=O)n1c(cccc2)c2nc1

InChI

InChI=1S/C10H10N2O2/c1-7(10(13)14)12-6-11-8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14)/t7-/m0/s1

InChI Key

KPWHLUYPAQJXFJ-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD02283281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.853

Distribution Coefficient, logD

-2.718

Water Solubility, LogSw

-1.39

Polar Surface Area

39.514

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D012-0095 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with D012-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0095?
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What is the minimum amount of D012-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0095
  • 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 D012-0095 available by request