8019-8541 Screening compound: 1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one

8019-8541 Screening compound: 1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one
8019-8541 Screening compound: 1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8541
1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one

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

8019-8541

Molecular Formula

C9H7ClN2O (C9 H7 ClN2 O)

Compound Name

1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one

IUPAC name

1-(5-chloro-1H-13-benzodiazol-2-yl)ethan-1-one

SMILES

CC(c1nc(cc(cc2)Cl)c2[nH]1)=O

InChI

InChI=1S/C9H7ClN2O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-4H,1H3,(H,11,12)

InChI Key

WKFDOUULOOHNCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09261493

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

194.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.96

Polar Surface Area

33.356

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8019-8541 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-8541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8541?
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What is the minimum amount of 8019-8541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8541
  • 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 8019-8541 available by request