P899-0048 Screening compound: N-[(4-methoxyphenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide

P899-0048 Screening compound: N-[(4-methoxyphenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
P899-0048 Screening compound: N-[(4-methoxyphenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P899-0048
N-[(4-methoxyphenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-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

P899-0048

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(oc(-c([nH]nc1)c1C(N1CCCC1)=O)c1)c1S(NCc(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C21H24N4O5S/c1-14-19(31(27,28)23-12-15-5-7-16(29-2)8-6-15)11-18(30-14)20-17(13-22-24-20)21(26)25-9-3-4-10-25/h5-8,11,13,23H,3-4,9-10,12H2,1-2H3,(H,22,24)

InChI Key

HUBKUQUHUNHRLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.341

Water Solubility, LogSw

-2.93

Polar Surface Area

99.070

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P899-0048 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P899-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P899-0048?
Check Price and Availability of P899-0048, 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 P899-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P899-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P899-0048
  • 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 P899-0048 available by request