F402-0233 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide

F402-0233 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide
F402-0233 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F402-0233
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]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

F402-0233

Molecular Formula

C23H18BrN3O4S (C23 H18 BrN3 O4 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-23-dihydro-1H-15-benzodiazepin-1-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1N=C(C1)c(s2)ccc2Br)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H18BrN3O4S/c24-21-8-7-20(32-21)16-10-23(29)27(17-4-2-1-3-15(17)26-16)12-22(28)25-11-14-5-6-18-19(9-14)31-13-30-18/h1-9H,10-13H2,(H,25,28)

InChI Key

JBSZCUXCROSOOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.39

Polar Surface Area

67.195

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F402-0233 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F402-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F402-0233?
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What is the minimum amount of F402-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F402-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F402-0233
  • 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 F402-0233 available by request