C274-3254 Screening compound: N-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-5-bromo-N-methylthiophene-2-sulfonamide

C274-3254 Screening compound: N-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-5-bromo-N-methylthiophene-2-sulfonamide
C274-3254 Screening compound: N-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-5-bromo-N-methylthiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-3254
N-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-5-bromo-N-methylthiophene-2-sulfonamide

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

C274-3254

Molecular Formula

C19H22BrN3O4S2 (C19 H22 BrN3 O4 S2)

Compound Name

N-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-5-bromo-N-methylthiophene-2-sulfonamide

IUPAC name

N-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-5-bromo-N-methylthiophene-2-sulfonamide

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(CN(C)S(c(s1)ccc1Br)(=O)=O)=O)=O

InChI

InChI=1S/C19H22BrN3O4S2/c1-14(24)15-3-5-16(6-4-15)22-9-11-23(12-10-22)18(25)13-21(2)29(26,27)19-8-7-17(20)28-19/h3-8H,9-13H2,1-2H3

InChI Key

PXHPAMMVAOWICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.407

Distribution Coefficient, logD

2.407

Water Solubility, LogSw

-2.58

Polar Surface Area

67.301

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C274-3254 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-3254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-3254?
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What is the minimum amount of C274-3254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-3254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-3254
  • 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 C274-3254 available by request