7009-0282 Screening compound: 3-(4-tert-butylphenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0282 Screening compound: 3-(4-tert-butylphenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0282 Screening compound: 3-(4-tert-butylphenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0282
3-(4-tert-butylphenyl)-6-[(4-methoxyphenoxy)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

7009-0282

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

3-(4-tert-butylphenyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(4-tert-butylphenyl)-6-[(4-methoxyphenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1nnc2sc(COc(cc3)ccc3OC)nn12

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)15-7-5-14(6-8-15)19-22-23-20-25(19)24-18(28-20)13-27-17-11-9-16(26-4)10-12-17/h5-12H,13H2,1-4H3

InChI Key

BBMWMAGUZUVZIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05087717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.221

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-5.16

Polar Surface Area

49.260

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7009-0282 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7009-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0282?
Check Price and Availability of 7009-0282, 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 7009-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0282
  • 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 7009-0282 available by request