Y501-9722 Screening compound: 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{(Z)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Y501-9722 Screening compound: 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{(Z)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Y501-9722 Screening compound: 3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{(Z)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9722
3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{(Z)-1-[5-(4-nitrophenyl)-2-furyl]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

Y501-9722

Molecular Formula

C22H10ClF4N5O3S (C22 H10 ClF4 N5 O3 S)

Compound Name

3-[chloro(difluoro)methyl]-6-(2,4-difluorophenyl)-7-{(Z)-1-[5-(4-nitrophenyl)-2-furyl]methylidene}-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

(7Z)-3-(chlorodifluoromethyl)-6-(24-difluorophenyl)-7-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

[O-][N+](c(cc1)ccc1-c1ccc(/C=C2\Sc3nnc(C(F)(F)Cl)n3N=C2c(ccc(F)c2)c2F)o1)=O

InChI

InChI=1S/C22H10ClF4N5O3S/c23-22(26,27)20-28-29-21-31(20)30-19(15-7-3-12(24)9-16(15)25)18(36-21)10-14-6-8-17(35-14)11-1-4-13(5-2-11)32(33)34/h1-10H

InChI Key

XABBUMPVZFRSFW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.800

Distribution Coefficient, logD

6.800

Water Solubility, LogSw

-6.86

Polar Surface Area

74.107

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.55

References: we are preparing a list of scientific research reports with Y501-9722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9722?
Check Price and Availability of Y501-9722, 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 Y501-9722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9722
  • 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 Y501-9722 available by request