Y042-2498 Screening compound: 2-[3-(1H-indol-3-yl)propyl]-7-(3-pyridyl)[1,2,4]triazolo[1,5-a]pyrimidine

Y042-2498 Screening compound: 2-[3-(1H-indol-3-yl)propyl]-7-(3-pyridyl)[1,2,4]triazolo[1,5-a]pyrimidine
Y042-2498 Screening compound: 2-[3-(1H-indol-3-yl)propyl]-7-(3-pyridyl)[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2498
2-[3-(1H-indol-3-yl)propyl]-7-(3-pyridyl)[1,2,4]triazolo[1,5-a]pyrimidine

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

Y042-2498

Molecular Formula

C21H18N6 (C21 H18 N6)

Compound Name

2-[3-(1H-indol-3-yl)propyl]-7-(3-pyridyl)[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

3-{3-[7-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-2-yl]propyl}-1H-indole

SMILES

C(Cc1c[nH]c2c1cccc2)Cc1nn2c(-c3cnccc3)ccnc2n1

InChI

InChI=1S/C21H18N6/c1-2-8-18-17(7-1)15(14-24-18)5-3-9-20-25-21-23-12-10-19(27(21)26-20)16-6-4-11-22-13-16/h1-2,4,6-8,10-14,24H,3,5,9H2

InChI Key

CKUNFXTVHHEJFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29057438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

2.913

Water Solubility, LogSw

-2.78

Polar Surface Area

50.321

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

Y042-2498 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y042-2498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2498?
Check Price and Availability of Y042-2498, 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 Y042-2498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2498
  • 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 Y042-2498 available by request