S565-0892 Screening compound: 4-(cyclopropylmethyl)-3-[5-(3,4-dimethoxybenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

S565-0892 Screening compound: 4-(cyclopropylmethyl)-3-[5-(3,4-dimethoxybenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
S565-0892 Screening compound: 4-(cyclopropylmethyl)-3-[5-(3,4-dimethoxybenzoyl)-1-methyl-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 S565-0892
4-(cyclopropylmethyl)-3-[5-(3,4-dimethoxybenzoyl)-1-methyl-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

S565-0892

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

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

IUPAC name

4-(cyclopropylmethyl)-3-[5-(34-dimethoxybenzoyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4H-124-triazole

SMILES

Cn(c(CC1)c2CN1C(c(cc1)cc(OC)c1OC)=O)nc2-c1nncn1CC1CC1

InChI

InChI=1S/C22H26N6O3/c1-26-17-8-9-27(22(29)15-6-7-18(30-2)19(10-15)31-3)12-16(17)20(25-26)21-24-23-13-28(21)11-14-4-5-14/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3

InChI Key

HXYACXCVHCZOOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.688

Distribution Coefficient, logD

0.687

Water Solubility, LogSw

-1.76

Polar Surface Area

71.435

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

S565-0892 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 S565-0892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0892?
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What is the minimum amount of S565-0892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0892
  • 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 S565-0892 available by request