0910-0097 Screening compound: 7-bromo-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

0910-0097 Screening compound: 7-bromo-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
0910-0097 Screening compound: 7-bromo-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0910-0097
7-bromo-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-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

0910-0097

Molecular Formula

C15H12BrClN2O (C15 H12 BrClN2 O)

Compound Name

7-bromo-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-5-(2-chlorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(CNC1c(cccc2)c2Cl)Nc(cc2)c1cc2Br

InChI

InChI=1S/C15H12BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,15,18H,8H2,(H,19,20)/t15-/m0/s1

InChI Key

DGRUSQDROUHISB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00524979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.26

Polar Surface Area

37.320

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

0910-0097 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Others
  • Others

References: we are preparing a list of scientific research reports with 0910-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0910-0097?
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What is the minimum amount of 0910-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0910-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0910-0097
  • 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 0910-0097 available by request