S565-0891 Screening compound: 4-(cyclopropylmethyl)-3-[1-methyl-5-(oxolane-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

S565-0891 Screening compound: 4-(cyclopropylmethyl)-3-[1-methyl-5-(oxolane-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
S565-0891 Screening compound: 4-(cyclopropylmethyl)-3-[1-methyl-5-(oxolane-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-0891
4-(cyclopropylmethyl)-3-[1-methyl-5-(oxolane-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-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

S565-0891

Molecular Formula

C18H24N6O2 (C18 H24 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(CC1)c2CN1C(C1COCC1)=O)nc2-c1nncn1CC1CC1

InChI

InChI=1S/C18H24N6O2/c1-22-15-4-6-23(18(25)13-5-7-26-10-13)9-14(15)16(21-22)17-20-19-11-24(17)8-12-2-3-12/h11-13H,2-10H2,1H3/t13-/m0/s1

InChI Key

RQEGMRWZQWXPRZ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31974647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.073

Distribution Coefficient, logD

-0.074

Water Solubility, LogSw

0.09

Polar Surface Area

65.139

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S565-0891 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S565-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0891?
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What is the minimum amount of S565-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0891
  • 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 S565-0891 available by request