F402-0486 Screening compound: 7,8-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one

F402-0486 Screening compound: 7,8-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one
F402-0486 Screening compound: 7,8-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F402-0486
7,8-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-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

F402-0486

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

7,8-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one

IUPAC name

78-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(thiophen-2-yl)-23-dihydro-1H-15-benzodiazepin-2-one

SMILES

Cc(c(C)c1)cc(N(CC(N(CC2)CCN2c2ccccc2)=O)C(C2)=O)c1N=C2c1cccs1

InChI

InChI=1S/C27H28N4O2S/c1-19-15-22-24(16-20(19)2)31(26(32)17-23(28-22)25-9-6-14-34-25)18-27(33)30-12-10-29(11-13-30)21-7-4-3-5-8-21/h3-9,14-16H,10-13,17-18H2,1-2H3

InChI Key

QSHOOOCTTNGAGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.389

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.32

Polar Surface Area

45.261

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

F402-0486 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F402-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F402-0486?
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What is the minimum amount of F402-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F402-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F402-0486
  • 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 F402-0486 available by request