P898-0084 Screening compound: N-[(3-fluorophenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-2-sulfonamide

P898-0084 Screening compound: N-[(3-fluorophenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-2-sulfonamide
P898-0084 Screening compound: N-[(3-fluorophenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P898-0084
N-[(3-fluorophenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-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

P898-0084

Molecular Formula

C19H19FN4O4S (C19 H19 FN4 O4 S)

Compound Name

N-[(3-fluorophenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-2-sulfonamide

IUPAC name

N-[(3-fluorophenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-2-sulfonamide

SMILES

O=C(c1c(-c(o2)ccc2S(NCc2cc(F)ccc2)(=O)=O)[nH]nc1)N1CCCC1

InChI

InChI=1S/C19H19FN4O4S/c20-14-5-3-4-13(10-14)11-22-29(26,27)17-7-6-16(28-17)18-15(12-21-23-18)19(25)24-8-1-2-9-24/h3-7,10,12,22H,1-2,8-9,11H2,(H,21,23)

InChI Key

PWYAFBWJRODNCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-3.03

Polar Surface Area

92.092

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P898-0084 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P898-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P898-0084?
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What is the minimum amount of P898-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P898-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P898-0084
  • 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 P898-0084 available by request