S565-1472 Screening compound: 3-(5-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-(cyclopropylmethyl)-4H-1,2,4-triazole

S565-1472 Screening compound: 3-(5-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-(cyclopropylmethyl)-4H-1,2,4-triazole
S565-1472 Screening compound: 3-(5-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-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 S565-1472
3-(5-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-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

S565-1472

Molecular Formula

C24H24N8O2 (C24 H24 N8 O2)

Compound Name

3-(5-{1H,4H-chromeno[4,3-c]pyrazole-3-carbonyl}-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-{1H4H-chromeno[43-c]pyrazole-3-carbonyl}-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl)-4-(cyclopropylmethyl)-4H-124-triazole

SMILES

Cn(c(CC1)c2CN1C(c1n[nH]c-3c1COc1c3cccc1)=O)nc2-c1nncn1CC1CC1

InChI

InChI=1S/C24H24N8O2/c1-30-18-8-9-31(11-16(18)21(29-30)23-28-25-13-32(23)10-14-6-7-14)24(33)22-17-12-34-19-5-3-2-4-15(19)20(17)26-27-22/h2-5,13-14H,6-12H2,1H3,(H,26,27)

InChI Key

APJOJUXXVMDDIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-2.37

Polar Surface Area

88.666

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S565-1472 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S565-1472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1472?
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What is the minimum amount of S565-1472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1472
  • 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 S565-1472 available by request