C327-0078 Screening compound: 4-[5-(2-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

C327-0078 Screening compound: 4-[5-(2-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
C327-0078 Screening compound: 4-[5-(2-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0078
4-[5-(2-fluorophenyl)-3-(4-methanesulfonamidophenyl)-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

C327-0078

Molecular Formula

C20H20FN3O5S (C20 H20 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CS(Nc(cc1)ccc1C(CC1c(cccc2)c2F)=NN1C(CCC(O)=O)=O)(=O)=O

InChI

InChI=1S/C20H20FN3O5S/c1-30(28,29)23-14-8-6-13(7-9-14)17-12-18(15-4-2-3-5-16(15)21)24(22-17)19(25)10-11-20(26)27/h2-9,18,23H,10-12H2,1H3,(H,26,27)/t18-/m1/s1

InChI Key

JEOPPLYHPAXURT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04463621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

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

2.086

Distribution Coefficient, logD

-0.863

Water Solubility, LogSw

-2.80

Polar Surface Area

97.110

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C327-0078 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

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 C327-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0078?
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What is the minimum amount of C327-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0078
  • 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 C327-0078 available by request