C137-1154 Screening compound: N-{4-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-4-OXOBUTYL}THIOPHENE-2-SULFONAMIDE

C137-1154 Screening compound: N-{4-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-4-OXOBUTYL}THIOPHENE-2-SULFONAMIDE
C137-1154 Screening compound: N-{4-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-4-OXOBUTYL}THIOPHENE-2-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C137-1154
N-{4-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-4-OXOBUTYL}THIOPHENE-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

C137-1154

Molecular Formula

C18H22FN3O3S2 (C18 H22 FN3 O3 S2)

Compound Name

N-{4-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-4-OXOBUTYL}THIOPHENE-2-SULFONAMIDE

IUPAC name

N-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide

SMILES

O=C(CCCNS(c1cccs1)(=O)=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C18H22FN3O3S2/c19-15-5-7-16(8-6-15)21-10-12-22(13-11-21)17(23)3-1-9-20-27(24,25)18-4-2-14-26-18/h2,4-8,14,20H,1,3,9-13H2

InChI Key

HWPVFJGEFJJFSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.83

Polar Surface Area

62.509

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C137-1154 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C137-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C137-1154?
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What is the minimum amount of C137-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C137-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C137-1154
  • 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 C137-1154 available by request