C076-0177 Screening compound: 7-bromo-4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0177 Screening compound: 7-bromo-4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0177 Screening compound: 7-bromo-4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0177
7-bromo-4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-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

C076-0177

Molecular Formula

C26H30BrFN2O2 (C26 H30 BrFN2 O2)

Compound Name

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

IUPAC name

7-bromo-4-(4-butylcyclohexanecarbonyl)-5-(4-fluorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

CCCCC(CC1)CCC1C(N(C1)C(c(cc2)ccc2F)c(cc(cc2)Br)c2NC1=O)=O

InChI

InChI=1S/C26H30BrFN2O2/c1-2-3-4-17-5-7-19(8-6-17)26(32)30-16-24(31)29-23-14-11-20(27)15-22(23)25(30)18-9-12-21(28)13-10-18/h9-15,17,19,25H,2-8,16H2,1H3,(H,29,31)/t17?,19?,25-/m0/s1

InChI Key

LJNVCDRFFAMXEW-HGEUABKPSA-N

MDL Number (MFCD)

MFCD04455170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.973

Distribution Coefficient, logD

6.973

Water Solubility, LogSw

-5.67

Polar Surface Area

41.218

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C076-0177 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C076-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0177?
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What is the minimum amount of C076-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0177
  • 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 C076-0177 available by request