P593-0292 Screening compound: 1-[(PYRIDIN-2-YL)METHYL]-3-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

P593-0292 Screening compound: 1-[(PYRIDIN-2-YL)METHYL]-3-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
P593-0292 Screening compound: 1-[(PYRIDIN-2-YL)METHYL]-3-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound P593-0292
1-[(PYRIDIN-2-YL)METHYL]-3-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-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

P593-0292

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

1-[(PYRIDIN-2-YL)METHYL]-3-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-SULFONYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

IUPAC name

n/a

SMILES

OC(c1cn(Cc2ncccc2)nc1S(N(CC1)Cc2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C19H18N4O4S/c24-19(25)17-13-22(12-16-7-3-4-9-20-16)21-18(17)28(26,27)23-10-8-14-5-1-2-6-15(14)11-23/h1-7,9,13H,8,10-12H2,(H,24,25)

InChI Key

VGBGVYCNTPTHBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

-1.837

Water Solubility, LogSw

-2.43

Polar Surface Area

84.390

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P593-0292 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)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P593-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P593-0292?
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What is the minimum amount of P593-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P593-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P593-0292
  • 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 P593-0292 available by request