Y041-6248 Screening compound: N-(3-methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}butyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide

Y041-6248 Screening compound: N-(3-methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}butyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
Y041-6248 Screening compound: N-(3-methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}butyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6248
N-(3-methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}butyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide

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

Y041-6248

Molecular Formula

C20H21N7O (C20 H21 N7 O)

Compound Name

N-(3-methyl-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}butyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide

IUPAC name

N-[(1S)-3-methyl-1-{[124]triazolo[43-a]pyridin-3-yl}butyl]-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide

SMILES

CC(C)CC(c1nnc2n1cccc2)NC(c1n[nH]c(-c2cnccc2)c1)=O

InChI

InChI=1S/C20H21N7O/c1-13(2)10-16(19-26-25-18-7-3-4-9-27(18)19)22-20(28)17-11-15(23-24-17)14-6-5-8-21-12-14/h3-9,11-13,16H,10H2,1-2H3,(H,22,28)(H,23,24)/t16-/m0/s1

InChI Key

HHLPNTDYIZTKJZ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

1.963

Water Solubility, LogSw

-2.11

Polar Surface Area

77.900

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y041-6248 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-6248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6248?
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What is the minimum amount of Y041-6248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6248
  • 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 Y041-6248 available by request