7009-0304 Screening compound: 3-(4-tert-butylphenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

7009-0304 Screening compound: 3-(4-tert-butylphenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
7009-0304 Screening compound: 3-(4-tert-butylphenyl)-6-[(2-ethoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7009-0304
3-(4-tert-butylphenyl)-6-[(2-ethoxyphenoxy)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

7009-0304

Molecular Formula

C22H24N4O2S (C22 H24 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1)c1OCc(s1)nn2c1nnc2-c1ccc(C(C)(C)C)cc1

InChI

InChI=1S/C22H24N4O2S/c1-5-27-17-8-6-7-9-18(17)28-14-19-25-26-20(23-24-21(26)29-19)15-10-12-16(13-11-15)22(2,3)4/h6-13H,5,14H2,1-4H3

InChI Key

DEHKXNHHVYQDAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05087734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.42

Polar Surface Area

49.013

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

7009-0304 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 7009-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7009-0304?
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What is the minimum amount of 7009-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7009-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7009-0304
  • 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 7009-0304 available by request