8010-6149 Screening compound: 1-(4-chlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one

8010-6149 Screening compound: 1-(4-chlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one
8010-6149 Screening compound: 1-(4-chlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6149
1-(4-chlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-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

8010-6149

Molecular Formula

C17H16ClN3O (C17 H16 ClN3 O)

Compound Name

1-(4-chlorophenyl)-2-(3-ethyl-2-imino-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-(3-ethyl-2-imino-23-dihydro-1H-13-benzodiazol-1-yl)ethan-1-one

SMILES

CCN(c(cccc1)c1N1CC(c(cc2)ccc2Cl)=O)C1=N

InChI

InChI=1S/C17H16ClN3O/c1-2-20-14-5-3-4-6-15(14)21(17(20)19)11-16(22)12-7-9-13(18)10-8-12/h3-10,19H,2,11H2,1H3

InChI Key

KLJMILJZTQNURS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051306

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

313.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-4.06

Polar Surface Area

34.826

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8010-6149 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-6149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6149?
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What is the minimum amount of 8010-6149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6149
  • 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 8010-6149 available by request