S565-0900 Screening compound: 4-(cyclopropylmethyl)-3-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole

S565-0900 Screening compound: 4-(cyclopropylmethyl)-3-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole
S565-0900 Screening compound: 4-(cyclopropylmethyl)-3-{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 S565-0900
4-(cyclopropylmethyl)-3-{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

S565-0900

Molecular Formula

C13H18N6 (C13 H18 N6)

Compound Name

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

IUPAC name

4-(cyclopropylmethyl)-3-{1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-4H-124-triazole

SMILES

Cn(c1c2CNCC1)nc2-c1nncn1CC1CC1

InChI

InChI=1S/C13H18N6/c1-18-11-4-5-14-6-10(11)12(17-18)13-16-15-8-19(13)7-9-2-3-9/h8-9,14H,2-7H2,1H3

InChI Key

JNHILWLZDFMZLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897713

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

258.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.375

Distribution Coefficient, logD

-6.660

Water Solubility, LogSw

-0.37

Polar Surface Area

51.676

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

13.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.54

S565-0900 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S565-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0900?
Check Price and Availability of S565-0900, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S565-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0900
  • 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 S565-0900 available by request