C327-0260 Screening compound: 4-[3-(3-methanesulfonamidophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

C327-0260 Screening compound: 4-[3-(3-methanesulfonamidophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
C327-0260 Screening compound: 4-[3-(3-methanesulfonamidophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0260
4-[3-(3-methanesulfonamidophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

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

C327-0260

Molecular Formula

C18H19N3O5S2 (C18 H19 N3 O5 S2)

Compound Name

4-[3-(3-methanesulfonamidophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[3-(3-methanesulfonamidophenyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

CS(Nc1cc(C(CC2c3cccs3)=NN2C(CCC(O)=O)=O)ccc1)(=O)=O

InChI

InChI=1S/C18H19N3O5S2/c1-28(25,26)20-13-5-2-4-12(10-13)14-11-15(16-6-3-9-27-16)21(19-14)17(22)7-8-18(23)24/h2-6,9-10,15,20H,7-8,11H2,1H3,(H,23,24)/t15-/m1/s1

InChI Key

JKNHIEAHHYORFM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD04463773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

-1.140

Water Solubility, LogSw

-2.50

Polar Surface Area

98.128

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C327-0260 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C327-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0260?
Check Price and Availability of C327-0260, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C327-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0260
  • 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 C327-0260 available by request