Y501-9724 Screening compound: 3-(difluoromethyl)-6-methyl-7-[(E)-1-(1-methyl-1H-pyrazol-3-yl)methylidene]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Y501-9724 Screening compound: 3-(difluoromethyl)-6-methyl-7-[(E)-1-(1-methyl-1H-pyrazol-3-yl)methylidene]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Y501-9724 Screening compound: 3-(difluoromethyl)-6-methyl-7-[(E)-1-(1-methyl-1H-pyrazol-3-yl)methylidene]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9724
3-(difluoromethyl)-6-methyl-7-[(E)-1-(1-methyl-1H-pyrazol-3-yl)methylidene]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

Y501-9724

Molecular Formula

C11H10F2N6S (C11 H10 F2 N6 S)

Compound Name

3-(difluoromethyl)-6-methyl-7-[(E)-1-(1-methyl-1H-pyrazol-3-yl)methylidene]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-{[(7E)-3-(difluoromethyl)-6-methyl-7H-[124]triazolo[34-b][134]thiadiazin-7-ylidene]methyl}-1-methyl-1H-pyrazole

SMILES

CC(/C(/S1)=C\c2nn(C)cc2)=Nn2c1nnc2C(F)F

InChI

InChI=1S/C11H10F2N6S/c1-6-8(5-7-3-4-18(2)17-7)20-11-15-14-10(9(12)13)19(11)16-6/h3-5,9H,1-2H3

InChI Key

SVYLYCXQNUGFTK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.110

Distribution Coefficient, logD

1.110

Water Solubility, LogSw

-1.45

Polar Surface Area

47.787

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y501-9724 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 Y501-9724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9724?
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What is the minimum amount of Y501-9724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9724
  • 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 Y501-9724 available by request