C076-0577 Screening compound: 4-[2-(2,4-dichlorophenoxy)acetyl]-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0577 Screening compound: 4-[2-(2,4-dichlorophenoxy)acetyl]-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0577 Screening compound: 4-[2-(2,4-dichlorophenoxy)acetyl]-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0577
4-[2-(2,4-dichlorophenoxy)acetyl]-7-methyl-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

C076-0577

Molecular Formula

C24H20Cl2N2O3 (C24 H20 Cl2 N2 O3)

Compound Name

4-[2-(2,4-dichlorophenoxy)acetyl]-7-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

4-[2-(24-dichlorophenoxy)acetyl]-7-methyl-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

Cc(cc1)cc(C(c2ccccc2)N(C2)C(COc(ccc(Cl)c3)c3Cl)=O)c1NC2=O

InChI

InChI=1S/C24H20Cl2N2O3/c1-15-7-9-20-18(11-15)24(16-5-3-2-4-6-16)28(13-22(29)27-20)23(30)14-31-21-10-8-17(25)12-19(21)26/h2-12,24H,13-14H2,1H3,(H,27,29)/t24-/m0/s1

InChI Key

RRFFHDNJESUWGY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04455119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.34

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

5.086

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.46

Polar Surface Area

48.084

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C076-0577 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C076-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0577?
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What is the minimum amount of C076-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0577
  • 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 C076-0577 available by request