S565-1082 Screening compound: 3-(4-benzyl-4H-1,2,4-triazol-3-yl)-N-(3-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide

S565-1082 Screening compound: 3-(4-benzyl-4H-1,2,4-triazol-3-yl)-N-(3-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
S565-1082 Screening compound: 3-(4-benzyl-4H-1,2,4-triazol-3-yl)-N-(3-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1082
3-(4-benzyl-4H-1,2,4-triazol-3-yl)-N-(3-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-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

S565-1082

Molecular Formula

C23H22FN7O (C23 H22 FN7 O)

Compound Name

3-(4-benzyl-4H-1,2,4-triazol-3-yl)-N-(3-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide

IUPAC name

3-(4-benzyl-4H-124-triazol-3-yl)-N-(3-fluorophenyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carboxamide

SMILES

Cn(c(CC1)c2CN1C(Nc1cccc(F)c1)=O)nc2-c1nncn1Cc1ccccc1

InChI

InChI=1S/C23H22FN7O/c1-29-20-10-11-30(23(32)26-18-9-5-8-17(24)12-18)14-19(20)21(28-29)22-27-25-15-31(22)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H,26,32)

InChI Key

KZPSCBWIXOPHPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31991417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-3.02

Polar Surface Area

64.472

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

S565-1082 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S565-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1082?
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What is the minimum amount of S565-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1082
  • 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 S565-1082 available by request