P898-0394 Screening compound: N,N-dimethyl-5-{5-[(4-methylpiperidin-1-yl)sulfonyl]furan-2-yl}-1H-pyrazole-4-carboxamide

P898-0394 Screening compound: N,N-dimethyl-5-{5-[(4-methylpiperidin-1-yl)sulfonyl]furan-2-yl}-1H-pyrazole-4-carboxamide
P898-0394 Screening compound: N,N-dimethyl-5-{5-[(4-methylpiperidin-1-yl)sulfonyl]furan-2-yl}-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P898-0394
N,N-dimethyl-5-{5-[(4-methylpiperidin-1-yl)sulfonyl]furan-2-yl}-1H-pyrazole-4-carboxamide

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

P898-0394

Molecular Formula

C16H22N4O4S (C16 H22 N4 O4 S)

Compound Name

N,N-dimethyl-5-{5-[(4-methylpiperidin-1-yl)sulfonyl]furan-2-yl}-1H-pyrazole-4-carboxamide

IUPAC name

NN-dimethyl-5-{5-[(4-methylpiperidin-1-yl)sulfonyl]furan-2-yl}-1H-pyrazole-4-carboxamide

SMILES

CC(CC1)CCN1S(c1ccc(-c([nH]nc2)c2C(N(C)C)=O)o1)(=O)=O

InChI

InChI=1S/C16H22N4O4S/c1-11-6-8-20(9-7-11)25(22,23)14-5-4-13(24-14)15-12(10-17-18-15)16(21)19(2)3/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)

InChI Key

SFHNFHNEKAHBHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.205

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-2.32

Polar Surface Area

81.031

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P898-0394 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P898-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P898-0394?
Check Price and Availability of P898-0394, 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 P898-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P898-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P898-0394
  • 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 P898-0394 available by request