F402-0114 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one

F402-0114 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one
F402-0114 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F402-0114
1-[(2,5-dimethylphenyl)methyl]-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

F402-0114

Molecular Formula

C22H20N2OS (C22 H20 N2 OS)

Compound Name

1-[(2,5-dimethylphenyl)methyl]-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one

IUPAC name

1-[(25-dimethylphenyl)methyl]-4-(thiophen-2-yl)-23-dihydro-1H-15-benzodiazepin-2-one

SMILES

Cc1cc(CN(c(cccc2)c2N=C(C2)c3cccs3)C2=O)c(C)cc1

InChI

InChI=1S/C22H20N2OS/c1-15-9-10-16(2)17(12-15)14-24-20-7-4-3-6-18(20)23-19(13-22(24)25)21-8-5-11-26-21/h3-12H,13-14H2,1-2H3

InChI Key

CCRQZDAEEAJEGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.528

Distribution Coefficient, logD

5.528

Water Solubility, LogSw

-5.34

Polar Surface Area

25.608

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F402-0114 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F402-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F402-0114?
Check Price and Availability of F402-0114, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F402-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F402-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F402-0114
  • 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 F402-0114 available by request