C327-0090 Screening compound: 5-[5-(3-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

C327-0090 Screening compound: 5-[5-(3-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
C327-0090 Screening compound: 5-[5-(3-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C327-0090
5-[5-(3-fluorophenyl)-3-(4-methanesulfonamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic 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

C327-0090

Molecular Formula

C21H22FN3O5S (C21 H22 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CS(Nc(cc1)ccc1C(CC1c2cc(F)ccc2)=NN1C(CCCC(O)=O)=O)(=O)=O

InChI

InChI=1S/C21H22FN3O5S/c1-31(29,30)24-17-10-8-14(9-11-17)18-13-19(15-4-2-5-16(22)12-15)25(23-18)20(26)6-3-7-21(27)28/h2,4-5,8-12,19,24H,3,6-7,13H2,1H3,(H,27,28)/t19-/m1/s1

InChI Key

XWCZJFVBSAWSAI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD04463631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.161

Distribution Coefficient, logD

-0.437

Water Solubility, LogSw

-2.79

Polar Surface Area

97.110

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C327-0090 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C327-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C327-0090?
Check Price and Availability of C327-0090, 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 C327-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C327-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C327-0090
  • 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 C327-0090 available by request