F402-0413 Screening compound: 2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

F402-0413 Screening compound: 2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
F402-0413 Screening compound: 2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F402-0413
2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

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

F402-0413

Molecular Formula

C24H20F3N3O2S (C24 H20 F3 N3 O2 S)

Compound Name

2-[7,8-dimethyl-2-oxo-4-(thiophen-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[78-dimethyl-2-oxo-4-(thiophen-2-yl)-23-dihydro-1H-15-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

Cc(c(C)c1)cc(N(CC(Nc2cc(C(F)(F)F)ccc2)=O)C(C2)=O)c1N=C2c1cccs1

InChI

InChI=1S/C24H20F3N3O2S/c1-14-9-18-20(10-15(14)2)30(23(32)12-19(29-18)21-7-4-8-33-21)13-22(31)28-17-6-3-5-16(11-17)24(25,26)27/h3-11H,12-13H2,1-2H3,(H,28,31)

InChI Key

WLZUSOYTFNPJRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.868

Water Solubility, LogSw

-5.63

Polar Surface Area

48.758

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F402-0413 in Drug Discovery

Included in Screening Libraries

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

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 F402-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F402-0413?
Check Price and Availability of F402-0413, 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 F402-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F402-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F402-0413
  • 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 F402-0413 available by request