C224-4171 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide

C224-4171 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide
C224-4171 Screening compound: 3-[(5-bromothiophen-2-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C224-4171
3-[(5-bromothiophen-2-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide

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

C224-4171

Molecular Formula

C14H11BrF3NO3S2 (C14 H11 BrF3 NO3 S2)

Compound Name

3-[(5-bromothiophen-2-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-[(5-bromothiophen-2-yl)sulfonyl]-N-[3-(trifluoromethyl)phenyl]propanamide

SMILES

O=C(CCS(c(s1)ccc1Br)(=O)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C14H11BrF3NO3S2/c15-11-4-5-13(23-11)24(21,22)7-6-12(20)19-10-3-1-2-9(8-10)14(16,17)18/h1-5,8H,6-7H2,(H,19,20)

InChI Key

ZNUDNTQYYAGVBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.27

Polar Surface Area

53.171

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C224-4171 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C224-4171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C224-4171?
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What is the minimum amount of C224-4171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C224-4171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C224-4171
  • 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 C224-4171 available by request