C076-0800 Screening compound: 7-fluoro-4-[2-(1-naphthyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one

C076-0800 Screening compound: 7-fluoro-4-[2-(1-naphthyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
C076-0800 Screening compound: 7-fluoro-4-[2-(1-naphthyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C076-0800
7-fluoro-4-[2-(1-naphthyl)acetyl]-5-phenyl-1,3,4,5-tetrahydro-2H-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

C076-0800

Molecular Formula

C27H21FN2O2 (C27 H21 FN2 O2)

Compound Name

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

IUPAC name

7-fluoro-4-[2-(naphthalen-1-yl)acetyl]-5-phenyl-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(Cc1cccc2ccccc12)N(C1)C(c2ccccc2)c(cc(cc2)F)c2NC1=O

InChI

InChI=1S/C27H21FN2O2/c28-21-13-14-24-23(16-21)27(19-8-2-1-3-9-19)30(17-25(31)29-24)26(32)15-20-11-6-10-18-7-4-5-12-22(18)20/h1-14,16,27H,15,17H2,(H,29,31)/t27-/m0/s1

InChI Key

UDDWLSNPUNBDGW-MHZLTWQESA-N

MDL Number (MFCD)

MFCD04455501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.47

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

5.219

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-6.36

Polar Surface Area

40.227

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

C076-0800 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C076-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C076-0800?
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What is the minimum amount of C076-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C076-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C076-0800
  • 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 C076-0800 available by request