S565-1603 Screening compound: 3',5'-dimethyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1'-propyl-1H,1'H-3,4'-bipyrazole

S565-1603 Screening compound: 3',5'-dimethyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1'-propyl-1H,1'H-3,4'-bipyrazole
S565-1603 Screening compound: 3',5'-dimethyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1'-propyl-1H,1'H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1603
3',5'-dimethyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1'-propyl-1H,1'H-3,4'-bipyrazole

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

S565-1603

Molecular Formula

C27H30N10O (C27 H30 N10 O)

Compound Name

3',5'-dimethyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1'-propyl-1H,1'H-3,4'-bipyrazole

IUPAC name

3'5'-dimethyl-5-[1-methyl-3-(4-phenyl-4H-124-triazol-3-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl]-1'-propyl-1H1'H-34'-bipyrazole

SMILES

CCCn1nc(C)c(-c2n[nH]c(C(N(CC3)Cc4c3n(C)nc4-c3nncn3-c3ccccc3)=O)c2)c1C

InChI

InChI=1S/C27H30N10O/c1-5-12-37-18(3)24(17(2)32-37)21-14-22(30-29-21)27(38)35-13-11-23-20(15-35)25(33-34(23)4)26-31-28-16-36(26)19-9-7-6-8-10-19/h6-10,14,16H,5,11-13,15H2,1-4H3,(H,29,30)

InChI Key

KRCUDATTYWURRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31978839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.792

Distribution Coefficient, logD

1.790

Water Solubility, LogSw

-2.45

Polar Surface Area

93.132

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S565-1603 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S565-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1603?
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What is the minimum amount of S565-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1603
  • 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 S565-1603 available by request