Y205-5360 Screening compound: 2-chloro-6-fluorobenzyl [4-isopropyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl] sulfide

Y205-5360 Screening compound: 2-chloro-6-fluorobenzyl [4-isopropyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl] sulfide
Y205-5360 Screening compound: 2-chloro-6-fluorobenzyl [4-isopropyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl] sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-5360
2-chloro-6-fluorobenzyl [4-isopropyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl] sulfide

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

Y205-5360

Molecular Formula

C20H21ClFN3S2 (C20 H21 ClFN3 S2)

Compound Name

2-chloro-6-fluorobenzyl [4-isopropyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl] sulfide

IUPAC name

3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(propan-2-yl)-5-(4567-tetrahydro-1-benzothiophen-3-yl)-4H-124-triazole

SMILES

CC(C)n1c(SCc(c(F)ccc2)c2Cl)nnc1-c1csc2c1CCCC2

InChI

InChI=1S/C20H21ClFN3S2/c1-12(2)25-19(14-10-26-18-9-4-3-6-13(14)18)23-24-20(25)27-11-15-16(21)7-5-8-17(15)22/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3

InChI Key

KHODSPDEWKKUTP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.231

Distribution Coefficient, logD

6.228

Water Solubility, LogSw

-6.30

Polar Surface Area

26.255

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y205-5360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-5360?
Check Price and Availability of Y205-5360, 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 Y205-5360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-5360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-5360
  • 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 Y205-5360 available by request