C076-0131 Screening compound: 7-bromo-4-(2-cyclohexylacetyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0131 Screening compound: 7-bromo-4-(2-cyclohexylacetyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0131 Screening compound: 7-bromo-4-(2-cyclohexylacetyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0131
7-bromo-4-(2-cyclohexylacetyl)-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

C076-0131

Molecular Formula

C23H24BrFN2O2 (C23 H24 BrFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1CCCCC1)N(C1)C(c(cc2)ccc2F)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C23H24BrFN2O2/c24-17-8-11-20-19(13-17)23(16-6-9-18(25)10-7-16)27(14-21(28)26-20)22(29)12-15-4-2-1-3-5-15/h6-11,13,15,23H,1-5,12,14H2,(H,26,28)/t23-/m0/s1

InChI Key

CILVSIISHIGYJX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

5.589

Water Solubility, LogSw

-5.71

Polar Surface Area

40.691

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C076-0131 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C076-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0131?
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What is the minimum amount of C076-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0131
  • 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 C076-0131 available by request