C076-0657 Screening compound: 7-chloro-4-(2-phenoxypropanoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0657 Screening compound: 7-chloro-4-(2-phenoxypropanoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0657 Screening compound: 7-chloro-4-(2-phenoxypropanoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0657
7-chloro-4-(2-phenoxypropanoyl)-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

C076-0657

Molecular Formula

C24H21ClN2O3 (C24 H21 ClN2 O3)

Compound Name

7-chloro-4-(2-phenoxypropanoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-4-(2-phenoxypropanoyl)-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

CC(C(N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O)Oc1ccccc1

InChI

InChI=1S/C24H21ClN2O3/c1-16(30-19-10-6-3-7-11-19)24(29)27-15-22(28)26-21-13-12-18(25)14-20(21)23(27)17-8-4-2-5-9-17/h2-14,16,23H,15H2,1H3,(H,26,28)

InChI Key

FTEWNFJCYZNZPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04455265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.88

Polar Surface Area

47.815

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

C076-0657 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with C076-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0657?
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What is the minimum amount of C076-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0657
  • 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 C076-0657 available by request