C076-0785 Screening compound: 4-(3,5-dimethoxybenzoyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0785 Screening compound: 4-(3,5-dimethoxybenzoyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0785 Screening compound: 4-(3,5-dimethoxybenzoyl)-7-fluoro-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0785
4-(3,5-dimethoxybenzoyl)-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

C076-0785

Molecular Formula

C24H21FN2O4 (C24 H21 FN2 O4)

Compound Name

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

IUPAC name

4-(35-dimethoxybenzoyl)-7-fluoro-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

COc1cc(C(N(C2)C(c3ccccc3)c(cc(cc3)F)c3NC2=O)=O)cc(OC)c1

InChI

InChI=1S/C24H21FN2O4/c1-30-18-10-16(11-19(13-18)31-2)24(29)27-14-22(28)26-21-9-8-17(25)12-20(21)23(27)15-6-4-3-5-7-15/h3-13,23H,14H2,1-2H3,(H,26,28)/t23-/m0/s1

InChI Key

ZQORORHLKPRLBS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.25

Polar Surface Area

56.113

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C076-0785 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with C076-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0785?
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What is the minimum amount of C076-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0785
  • 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 C076-0785 available by request