8019-7897 Screening compound: 3-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid

8019-7897 Screening compound: 3-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid
8019-7897 Screening compound: 3-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7897
3-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-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

8019-7897

Molecular Formula

C11H11ClN2O2 (C11 H11 ClN2 O2)

Compound Name

3-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid

IUPAC name

3-(5-chloro-1-methyl-1H-13-benzodiazol-2-yl)propanoic acid

SMILES

Cn1c(ccc(Cl)c2)c2nc1CCC(O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

-0.904

Water Solubility, LogSw

-2.66

Polar Surface Area

40.609

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

8019-7897 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-7897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7897?
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What is the minimum amount of 8019-7897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7897
  • 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 8019-7897 available by request