C327-0168 Screening compound: 4-[3-(3-methanesulfonamidophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

C327-0168 Screening compound: 4-[3-(3-methanesulfonamidophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
C327-0168 Screening compound: 4-[3-(3-methanesulfonamidophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0168
4-[3-(3-methanesulfonamidophenyl)-5-(4-methoxyphenyl)-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

C327-0168

Molecular Formula

C21H23N3O6S (C21 H23 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)N(C(CCC(O)=O)=O)N=C2c2cccc(NS(C)(=O)=O)c2)cc1

InChI

InChI=1S/C21H23N3O6S/c1-30-17-8-6-14(7-9-17)19-13-18(22-24(19)20(25)10-11-21(26)27)15-4-3-5-16(12-15)23-31(2,28)29/h3-9,12,19,23H,10-11,13H2,1-2H3,(H,26,27)/t19-/m1/s1

InChI Key

KYIDKSWBCHMYCE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04463699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

-0.805

Water Solubility, LogSw

-2.83

Polar Surface Area

104.654

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C327-0168 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C327-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0168?
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What is the minimum amount of C327-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0168
  • 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 C327-0168 available by request