1186-0637 Screening compound: 4-(4-bromobenzoyl)-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

1186-0637 Screening compound: 4-(4-bromobenzoyl)-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
1186-0637 Screening compound: 4-(4-bromobenzoyl)-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1186-0637
4-(4-bromobenzoyl)-7-methyl-5-phenyl-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

1186-0637

Molecular Formula

C23H19BrN2O2 (C23 H19 BrN2 O2)

Compound Name

4-(4-bromobenzoyl)-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

4-(4-bromobenzoyl)-7-methyl-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

Cc(cc1)cc(C(c2ccccc2)N(C2)C(c(cc3)ccc3Br)=O)c1NC2=O

InChI

InChI=1S/C23H19BrN2O2/c1-15-7-12-20-19(13-15)22(16-5-3-2-4-6-16)26(14-21(27)25-20)23(28)17-8-10-18(24)11-9-17/h2-13,22H,14H2,1H3,(H,25,27)/t22-/m0/s1

InChI Key

HCQNFCYRQZFALH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01536744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.32

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

5.117

Distribution Coefficient, logD

5.117

Water Solubility, LogSw

-4.98

Polar Surface Area

41.026

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

1186-0637 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1186-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1186-0637?
Check Price and Availability of 1186-0637, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1186-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1186-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1186-0637
  • 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 1186-0637 available by request