S565-1301 Screening compound: 2-methyl-5-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole

S565-1301 Screening compound: 2-methyl-5-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole
S565-1301 Screening compound: 2-methyl-5-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1301
2-methyl-5-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole

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

S565-1301

Molecular Formula

C28H30N8O (C28 H30 N8 O)

Compound Name

2-methyl-5-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole

IUPAC name

2-methyl-5-[1-methyl-3-(4-methyl-4H-124-triazol-3-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl]-1-[4-(propan-2-yl)phenyl]-1H-13-benzodiazole

SMILES

CC(C)c(cc1)ccc1-n1c(ccc(C(N(CC2)Cc3c2n(C)nc3-c2nncn2C)=O)c2)c2nc1C

InChI

InChI=1S/C28H30N8O/c1-17(2)19-6-9-21(10-7-19)36-18(3)30-23-14-20(8-11-25(23)36)28(37)35-13-12-24-22(15-35)26(32-34(24)5)27-31-29-16-33(27)4/h6-11,14,16-17H,12-13,15H2,1-5H3

InChI Key

IXMPLORDQQMILB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-3.04

Polar Surface Area

67.927

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.14

S565-1301 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S565-1301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1301?
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What is the minimum amount of S565-1301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1301
  • 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 S565-1301 available by request