D727-0201 Screening compound: (6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl phenyl sulfide

D727-0201 Screening compound: (6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl phenyl sulfide
D727-0201 Screening compound: (6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl phenyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0201
(6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl phenyl 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

D727-0201

Molecular Formula

C18H16N4S2 (C18 H16 N4 S2)

Compound Name

(6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl phenyl sulfide

IUPAC name

n/a

SMILES

C(Cc1ccccc1)c(s1)nn2c1nnc2CSc1ccccc1

InChI

InChI=1S/C18H16N4S2/c1-3-7-14(8-4-1)11-12-17-21-22-16(19-20-18(22)24-17)13-23-15-9-5-2-6-10-15/h1-10H,11-13H2

InChI Key

BGRTYFCBRKRHLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08684074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.33

Polar Surface Area

35.193

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D727-0201 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D727-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0201?
Check Price and Availability of D727-0201, 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 D727-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0201
  • 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 D727-0201 available by request