7009-0302 Screening compound: 3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0302 Screening compound: 3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0302 Screening compound: 3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0302
3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)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

7009-0302

Molecular Formula

C20H19ClN4OS (C20 H19 ClN4 OS)

Compound Name

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

IUPAC name

3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[124]triazolo[34-b][134]thiadiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1nnc2sc(COc(cccc3)c3Cl)nn12

InChI

InChI=1S/C20H19ClN4OS/c1-20(2,3)14-10-8-13(9-11-14)18-22-23-19-25(18)24-17(27-19)12-26-16-7-5-4-6-15(16)21/h4-11H,12H2,1-3H3

InChI Key

RUOJSPKODICBLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05087733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.633

Distribution Coefficient, logD

5.633

Water Solubility, LogSw

-6.04

Polar Surface Area

41.803

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 7009-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0302?
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What is the minimum amount of 7009-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0302
  • 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 7009-0302 available by request