C076-0257 Screening compound: 7-bromo-5-(4-fluorophenyl)-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0257 Screening compound: 7-bromo-5-(4-fluorophenyl)-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0257 Screening compound: 7-bromo-5-(4-fluorophenyl)-4-(3,4,5-trimethoxybenzoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0257
7-bromo-5-(4-fluorophenyl)-4-(3,4,5-trimethoxybenzoyl)-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

C076-0257

Molecular Formula

C25H22BrFN2O5 (C25 H22 BrFN2 O5)

Compound Name

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

IUPAC name

7-bromo-5-(4-fluorophenyl)-4-(345-trimethoxybenzoyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

COc1cc(C(N(C2)C(c(cc3)ccc3F)c(cc(cc3)Br)c3NC2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C25H22BrFN2O5/c1-32-20-10-15(11-21(33-2)24(20)34-3)25(31)29-13-22(30)28-19-9-6-16(26)12-18(19)23(29)14-4-7-17(27)8-5-14/h4-12,23H,13H2,1-3H3,(H,28,30)/t23-/m0/s1

InChI Key

OQDLRWJBNLUYBJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04455234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.407

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.31

Polar Surface Area

64.004

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C076-0257 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)

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 C076-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0257?
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What is the minimum amount of C076-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0257
  • 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 C076-0257 available by request