C076-0710 Screening compound: 4-(2-cyclohexylacetyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0710 Screening compound: 4-(2-cyclohexylacetyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0710 Screening compound: 4-(2-cyclohexylacetyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0710
4-(2-cyclohexylacetyl)-7-fluoro-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

C076-0710

Molecular Formula

C23H25FN2O2 (C23 H25 FN2 O2)

Compound Name

4-(2-cyclohexylacetyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

4-(2-cyclohexylacetyl)-7-fluoro-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(CC1CCCCC1)N(C1)C(c2ccccc2)c(cc(cc2)F)c2NC1=O

InChI

InChI=1S/C23H25FN2O2/c24-18-11-12-20-19(14-18)23(17-9-5-2-6-10-17)26(15-21(27)25-20)22(28)13-16-7-3-1-4-8-16/h2,5-6,9-12,14,16,23H,1,3-4,7-8,13,15H2,(H,25,27)/t23-/m0/s1

InChI Key

PZVQBKVOCICQDJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.46

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

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.81

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

C076-0710 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C076-0710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0710?
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What is the minimum amount of C076-0710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0710
  • 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 C076-0710 available by request