Y504-9741 Screening compound: 6-(4-fluorophenyl)-3-methyl-N~4~-[1-methyl-2-(3-methyl-1H-pyrazol-1-yl)ethyl]isoxazolo[5,4-b]pyridine-4-carboxamide

Y504-9741 Screening compound: 6-(4-fluorophenyl)-3-methyl-N~4~-[1-methyl-2-(3-methyl-1H-pyrazol-1-yl)ethyl]isoxazolo[5,4-b]pyridine-4-carboxamide
Y504-9741 Screening compound: 6-(4-fluorophenyl)-3-methyl-N~4~-[1-methyl-2-(3-methyl-1H-pyrazol-1-yl)ethyl]isoxazolo[5,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-9741
6-(4-fluorophenyl)-3-methyl-N~4~-[1-methyl-2-(3-methyl-1H-pyrazol-1-yl)ethyl]isoxazolo[5,4-b]pyridine-4-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

Y504-9741

Molecular Formula

C21H20FN5O2 (C21 H20 FN5 O2)

Compound Name

6-(4-fluorophenyl)-3-methyl-N~4~-[1-methyl-2-(3-methyl-1H-pyrazol-1-yl)ethyl]isoxazolo[5,4-b]pyridine-4-carboxamide

IUPAC name

6-(4-fluorophenyl)-3-methyl-N-[1-(3-methyl-1H-pyrazol-1-yl)propan-2-yl]-[12]oxazolo[54-b]pyridine-4-carboxamide

SMILES

CC(Cn1nc(C)cc1)NC(c1cc(-c(cc2)ccc2F)nc2c1c(C)no2)=O

InChI

InChI=1S/C21H20FN5O2/c1-12-8-9-27(25-12)11-13(2)23-20(28)17-10-18(15-4-6-16(22)7-5-15)24-21-19(17)14(3)26-29-21/h4-10,13H,11H2,1-3H3,(H,23,28)/t13-/m0/s1

InChI Key

LSFFJYMFNYMZJN-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.64

Polar Surface Area

69.083

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with Y504-9741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-9741?
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What is the minimum amount of Y504-9741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-9741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-9741
  • 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 Y504-9741 available by request