S062-0977 Screening compound: 5-[(3-PHENYL-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)CARBONYL]-2-PYRROLIDINONE

S062-0977 Screening compound: 5-[(3-PHENYL-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)CARBONYL]-2-PYRROLIDINONE
S062-0977 Screening compound: 5-[(3-PHENYL-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)CARBONYL]-2-PYRROLIDINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S062-0977
5-[(3-PHENYL-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)CARBONYL]-2-PYRROLIDINONE

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

S062-0977

Molecular Formula

C17H18N4O2 (C17 H18 N4 O2)

Compound Name

5-[(3-PHENYL-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)CARBONYL]-2-PYRROLIDINONE

IUPAC name

5-{3-phenyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl}pyrrolidin-2-one

SMILES

O=C(C(CC1)NC1=O)N(CC1)Cc2c1[nH]nc2-c1ccccc1

InChI

InChI=1S/C17H18N4O2/c22-15-7-6-14(18-15)17(23)21-9-8-13-12(10-21)16(20-19-13)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,18,22)(H,19,20)/t14-/m1/s1

InChI Key

JRINKFCSGWAYJV-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.617

Distribution Coefficient, logD

0.617

Water Solubility, LogSw

-1.88

Polar Surface Area

67.322

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

S062-0977 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with S062-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S062-0977?
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What is the minimum amount of S062-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S062-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S062-0977
  • 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 S062-0977 available by request