Y044-5641 Screening compound: 1-methyl-N~5~-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-(2-thienyl)-1H-pyrazole-5-carboxamide

Y044-5641 Screening compound: 1-methyl-N~5~-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-(2-thienyl)-1H-pyrazole-5-carboxamide
Y044-5641 Screening compound: 1-methyl-N~5~-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-(2-thienyl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5641
1-methyl-N~5~-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-(2-thienyl)-1H-pyrazole-5-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

Y044-5641

Molecular Formula

C19H20N6OS2 (C19 H20 N6 OS2)

Compound Name

1-methyl-N~5~-[(1S)-3-(methylsulfanyl)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl]-3-(2-thienyl)-1H-pyrazole-5-carboxamide

IUPAC name

1-methyl-N-[(1S)-3-(methylsulfanyl)-1-{[124]triazolo[43-a]pyridin-3-yl}propyl]-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide

SMILES

Cn(c(C(NC(CCSC)c1nnc2n1cccc2)=O)c1)nc1-c1cccs1

InChI

InChI=1S/C19H20N6OS2/c1-24-15(12-14(23-24)16-6-5-10-28-16)19(26)20-13(8-11-27-2)18-22-21-17-7-3-4-9-25(17)18/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,20,26)/t13-/m0/s1

InChI Key

TWTUNESGGIUXPF-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.74

Polar Surface Area

60.155

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with Y044-5641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5641?
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What is the minimum amount of Y044-5641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5641
  • 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 Y044-5641 available by request