C076-0658 Screening compound: 7-chloro-4-(3,4-diethoxybenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0658 Screening compound: 7-chloro-4-(3,4-diethoxybenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0658 Screening compound: 7-chloro-4-(3,4-diethoxybenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0658
7-chloro-4-(3,4-diethoxybenzoyl)-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

C076-0658

Molecular Formula

C26H25ClN2O4 (C26 H25 ClN2 O4)

Compound Name

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

IUPAC name

7-chloro-4-(34-diethoxybenzoyl)-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

CCOc(ccc(C(N(C1)C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O)=O)c1)c1OCC

InChI

InChI=1S/C26H25ClN2O4/c1-3-32-22-13-10-18(14-23(22)33-4-2)26(31)29-16-24(30)28-21-12-11-19(27)15-20(21)25(29)17-8-6-5-7-9-17/h5-15,25H,3-4,16H2,1-2H3,(H,28,30)/t25-/m0/s1

InChI Key

LRUHQGBYGBNSDD-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04455267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.571

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.77

Polar Surface Area

55.446

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

C076-0658 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C076-0658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0658?
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What is the minimum amount of C076-0658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0658
  • 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 C076-0658 available by request