C076-0706 Screening compound: 7-chloro-4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

C076-0706 Screening compound: 7-chloro-4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
C076-0706 Screening compound: 7-chloro-4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0706
7-chloro-4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-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

C076-0706

Molecular Formula

C27H23Cl2FN2O2 (C27 H23 Cl2 FN2 O2)

Compound Name

7-chloro-4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(C1(CCCC1)c(cc1)ccc1Cl)N(C1)C(c(cc2)ccc2F)c(cc(cc2)Cl)c2NC1=O

InChI

InChI=1S/C27H23Cl2FN2O2/c28-19-7-5-18(6-8-19)27(13-1-2-14-27)26(34)32-16-24(33)31-23-12-9-20(29)15-22(23)25(32)17-3-10-21(30)11-4-17/h3-12,15,25H,1-2,13-14,16H2,(H,31,33)/t25-/m0/s1

InChI Key

HFLLFTZARBGPJP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04455353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.322

Distribution Coefficient, logD

6.322

Water Solubility, LogSw

-6.55

Polar Surface Area

41.313

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C076-0706 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C076-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0706?
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What is the minimum amount of C076-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0706
  • 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 C076-0706 available by request