P593-0322 Screening compound: 3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carboxylic acid

P593-0322 Screening compound: 3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carboxylic acid
P593-0322 Screening compound: 3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound P593-0322
3-(azepane-1-sulfonyl)-1-ethyl-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

P593-0322

Molecular Formula

C12H19N3O4S (C12 H19 N3 O4 S)

Compound Name

3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carboxylic acid

IUPAC name

3-(azepane-1-sulfonyl)-1-ethyl-1H-pyrazole-4-carboxylic acid

SMILES

CCn(cc1C(O)=O)nc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C12H19N3O4S/c1-2-14-9-10(12(16)17)11(13-14)20(18,19)15-7-5-3-4-6-8-15/h9H,2-8H2,1H3,(H,16,17)

InChI Key

OWVCCCMJUUQJCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

-2.777

Water Solubility, LogSw

-1.89

Polar Surface Area

75.512

Acid Dissociation Constant (pKa)

3.29

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

P593-0322 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P593-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P593-0322?
Check Price and Availability of P593-0322, 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 P593-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P593-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P593-0322
  • 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 P593-0322 available by request