G952-1482 Screening compound: 2-(4-tert-butylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

G952-1482 Screening compound: 2-(4-tert-butylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
G952-1482 Screening compound: 2-(4-tert-butylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-1482
2-(4-tert-butylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

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

G952-1482

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

2-(4-tert-butylphenoxy)-N-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide

IUPAC name

2-(4-tert-butylphenoxy)-N-[3-(4-methoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc(s1)nn2c1nnc2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H23N5O3S/c1-22(2,3)15-7-11-17(12-8-15)30-13-18(28)23-20-26-27-19(24-25-21(27)31-20)14-5-9-16(29-4)10-6-14/h5-12H,13H2,1-4H3,(H,23,26,28)

InChI Key

IFEFGJLWWIKXOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.014

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-4.61

Polar Surface Area

71.955

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G952-1482 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 G952-1482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-1482?
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What is the minimum amount of G952-1482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-1482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-1482
  • 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 G952-1482 available by request