3448-0823 Screening compound: N-[(1E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

3448-0823 Screening compound: N-[(1E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
3448-0823 Screening compound: N-[(1E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-0823
N-[(1E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

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

3448-0823

Molecular Formula

C22H22BrFN2O2 (C22 H22 BrFN2 O2)

Compound Name

N-[(1E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

IUPAC name

N-[(1E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

SMILES

O=C(/C(/NC(c(cccc1)c1F)=O)=C\c(cc1)ccc1Br)N1CCCCCC1

InChI

InChI=1S/C22H22BrFN2O2/c23-17-11-9-16(10-12-17)15-20(22(28)26-13-5-1-2-6-14-26)25-21(27)18-7-3-4-8-19(18)24/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,25,27)

InChI Key

JSNOBFPYWUKOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01858658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.939

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-4.70

Polar Surface Area

39.142

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3448-0823 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-0823?
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What is the minimum amount of 3448-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-0823
  • 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 3448-0823 available by request