D064-0135 Screening compound: 3-(2-methoxyphenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D064-0135 Screening compound: 3-(2-methoxyphenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D064-0135 Screening compound: 3-(2-methoxyphenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D064-0135
3-(2-methoxyphenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D064-0135

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

3-(2-methoxyphenyl)-6-[(3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(2-methoxyphenyl)-6-[(3-methylphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

Cc1cccc(OCc(s2)nn3c2nnc3-c(cccc2)c2OC)c1

InChI

InChI=1S/C18H16N4O2S/c1-12-6-5-7-13(10-12)24-11-16-21-22-17(19-20-18(22)25-16)14-8-3-4-9-15(14)23-2/h3-10H,11H2,1-2H3

InChI Key

RAVMVUBJOVITRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.74

Polar Surface Area

49.346

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D064-0135 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 D064-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D064-0135?
Check Price and Availability of D064-0135, 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 D064-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D064-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D064-0135
  • 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 D064-0135 available by request