P593-0236 Screening compound: 1-[(4-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid

P593-0236 Screening compound: 1-[(4-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid
P593-0236 Screening compound: 1-[(4-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound P593-0236
1-[(4-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic 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

P593-0236

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

1-[(4-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid

IUPAC name

1-[(4-methylphenyl)methyl]-3-[(4-methylpiperidin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylic acid

SMILES

CC(CC1)CCN1S(c1nn(Cc2ccc(C)cc2)cc1C(O)=O)(=O)=O

InChI

InChI=1S/C18H23N3O4S/c1-13-3-5-15(6-4-13)11-20-12-16(18(22)23)17(19-20)26(24,25)21-9-7-14(2)8-10-21/h3-6,12,14H,7-11H2,1-2H3,(H,22,23)

InChI Key

SANZNYLEUATOIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

-0.861

Water Solubility, LogSw

-3.14

Polar Surface Area

75.185

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P593-0236 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with P593-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P593-0236?
Check Price and Availability of P593-0236, 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 P593-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P593-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P593-0236
  • 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 P593-0236 available by request