C224-4991 Screening compound: N-[(4-fluorophenyl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide

C224-4991 Screening compound: N-[(4-fluorophenyl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
C224-4991 Screening compound: N-[(4-fluorophenyl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C224-4991
N-[(4-fluorophenyl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide

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

C224-4991

Molecular Formula

C21H19FN2O4S2 (C21 H19 FN2 O4 S2)

Compound Name

N-[(4-fluorophenyl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide

SMILES

O=C(CCS(c1cccs1)(=O)=O)Nc(cc1)ccc1C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C21H19FN2O4S2/c22-17-7-3-15(4-8-17)14-23-21(26)16-5-9-18(10-6-16)24-19(25)11-13-30(27,28)20-2-1-12-29-20/h1-10,12H,11,13-14H2,(H,23,26)(H,24,25)

InChI Key

FCKCNDOSIBCFAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-2.94

Polar Surface Area

77.584

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C224-4991 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C224-4991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C224-4991?
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What is the minimum amount of C224-4991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C224-4991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C224-4991
  • 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 C224-4991 available by request