F402-0182 Screening compound: 2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

F402-0182 Screening compound: 2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
F402-0182 Screening compound: 2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F402-0182
2-[4-(5-bromothiophen-2-yl)-2-oxo-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

F402-0182

Molecular Formula

C22H15BrF3N3O2S (C22 H15 BrF3 N3 O2 S)

Compound Name

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

IUPAC name

2-[4-(5-bromothiophen-2-yl)-2-oxo-23-dihydro-1H-15-benzodiazepin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(c(cccc1)c1N=C(C1)c(s2)ccc2Br)C1=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H15BrF3N3O2S/c23-19-9-8-18(32-19)16-11-21(31)29(17-7-2-1-6-15(17)28-16)12-20(30)27-14-5-3-4-13(10-14)22(24,25)26/h1-10H,11-12H2,(H,27,30)

InChI Key

BNFJPQWPADSMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.35

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

5.804

Distribution Coefficient, logD

5.804

Water Solubility, LogSw

-6.03

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

13.60

F402-0182 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 F402-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F402-0182?
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What is the minimum amount of F402-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F402-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F402-0182
  • 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 F402-0182 available by request