C076-0249 Screening compound: 7-bromo-4-(2,4-dimethoxybenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0249 Screening compound: 7-bromo-4-(2,4-dimethoxybenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0249 Screening compound: 7-bromo-4-(2,4-dimethoxybenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0249
7-bromo-4-(2,4-dimethoxybenzoyl)-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

C076-0249

Molecular Formula

C24H20BrFN2O4 (C24 H20 BrFN2 O4)

Compound Name

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

IUPAC name

7-bromo-4-(24-dimethoxybenzoyl)-5-(4-fluorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

COc(cc1)cc(OC)c1C(N(C1)C(c(cc2)ccc2F)c(cc(cc2)Br)c2NC1=O)=O

InChI

InChI=1S/C24H20BrFN2O4/c1-31-17-8-9-18(21(12-17)32-2)24(30)28-13-22(29)27-20-10-5-15(25)11-19(20)23(28)14-3-6-16(26)7-4-14/h3-12,23H,13H2,1-2H3,(H,27,29)/t23-/m0/s1

InChI Key

UGKIFYQWPPLOQC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.34

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

4.688

Distribution Coefficient, logD

4.688

Water Solubility, LogSw

-4.43

Polar Surface Area

56.200

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C076-0249 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)

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 C076-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0249?
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What is the minimum amount of C076-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0249
  • 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 C076-0249 available by request