Y503-3231 Screening compound: 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Y503-3231 Screening compound: 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Y503-3231 Screening compound: 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-3231
3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-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

Y503-3231

Molecular Formula

C11H5ClF4N4S (C11 H5 ClF4 N4 S)

Compound Name

3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-(chlorodifluoromethyl)-6-(24-difluorophenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

FC(c1nnc2SCC(c(ccc(F)c3)c3F)=Nn12)(F)Cl

InChI

InChI=1S/C11H5ClF4N4S/c12-11(15,16)9-17-18-10-20(9)19-8(4-21-10)6-2-1-5(13)3-7(6)14/h1-3H,4H2

InChI Key

KVXOYSUZHPBORH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.18

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with Y503-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-3231?
Check Price and Availability of Y503-3231, 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 Y503-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-3231
  • 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 Y503-3231 available by request