P898-0353 Screening compound: N~2~,N~2~-dimethyl-5-[4-(morpholinocarbonyl)-1H-pyrazol-5-yl]-2-furansulfonamide

P898-0353 Screening compound: N~2~,N~2~-dimethyl-5-[4-(morpholinocarbonyl)-1H-pyrazol-5-yl]-2-furansulfonamide
P898-0353 Screening compound: N~2~,N~2~-dimethyl-5-[4-(morpholinocarbonyl)-1H-pyrazol-5-yl]-2-furansulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P898-0353
N~2~,N~2~-dimethyl-5-[4-(morpholinocarbonyl)-1H-pyrazol-5-yl]-2-furansulfonamide

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

P898-0353

Molecular Formula

C14H18N4O5S (C14 H18 N4 O5 S)

Compound Name

N~2~,N~2~-dimethyl-5-[4-(morpholinocarbonyl)-1H-pyrazol-5-yl]-2-furansulfonamide

IUPAC name

NN-dimethyl-5-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]furan-2-sulfonamide

SMILES

CN(C)S(c1ccc(-c([nH]nc2)c2C(N2CCOCC2)=O)o1)(=O)=O

InChI

InChI=1S/C14H18N4O5S/c1-17(2)24(20,21)12-4-3-11(23-12)13-10(9-15-16-13)14(19)18-5-7-22-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,15,16)

InChI Key

HSSKWULECRURJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.215

Distribution Coefficient, logD

0.215

Water Solubility, LogSw

-2.32

Polar Surface Area

91.540

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

P898-0353 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 P898-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P898-0353?
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What is the minimum amount of P898-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P898-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P898-0353
  • 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 P898-0353 available by request