S565-0908 Screening compound: 3-{5-cyclopentanecarbonyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole

S565-0908 Screening compound: 3-{5-cyclopentanecarbonyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole
S565-0908 Screening compound: 3-{5-cyclopentanecarbonyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-0908
3-{5-cyclopentanecarbonyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole

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

S565-0908

Molecular Formula

C19H26N6O (C19 H26 N6 O)

Compound Name

3-{5-cyclopentanecarbonyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-(cyclopropylmethyl)-4H-1,2,4-triazole

IUPAC name

3-{5-cyclopentanecarbonyl-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-4-(cyclopropylmethyl)-4H-124-triazole

SMILES

Cn(c(CC1)c2CN1C(C1CCCC1)=O)nc2-c1nncn1CC1CC1

InChI

InChI=1S/C19H26N6O/c1-23-16-8-9-24(19(26)14-4-2-3-5-14)11-15(16)17(22-23)18-21-20-12-25(18)10-13-6-7-13/h12-14H,2-11H2,1H3

InChI Key

UNEQRHDKRMAHJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-1.23

Polar Surface Area

56.732

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.42

S565-0908 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 S565-0908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0908?
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What is the minimum amount of S565-0908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0908
  • 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 S565-0908 available by request