8011-2750 Screening compound: 1-(4-bromophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one

8011-2750 Screening compound: 1-(4-bromophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one
8011-2750 Screening compound: 1-(4-bromophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2750
1-(4-bromophenyl)-2-(2-imino-3-methyl-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

8011-2750

Molecular Formula

C16H14BrN3O (C16 H14 BrN3 O)

Compound Name

1-(4-bromophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)ethan-1-one

IUPAC name

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

SMILES

CN(c(cccc1)c1N1CC(c(cc2)ccc2Br)=O)C1=N

InChI

InChI=1S/C16H14BrN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3

InChI Key

PUVXHJNHJICBBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162722

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

344.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-3.63

Polar Surface Area

34.867

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-2750 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8011-2750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2750?
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What is the minimum amount of 8011-2750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2750
  • 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 8011-2750 available by request