G952-2281 Screening compound: N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-3,4,5-trimethoxybenzamide

G952-2281 Screening compound: N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-3,4,5-trimethoxybenzamide
G952-2281 Screening compound: N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-2281
N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-3,4,5-trimethoxybenzamide

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

G952-2281

Molecular Formula

C17H21N5O4S (C17 H21 N5 O4 S)

Compound Name

N-{3-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-3,4,5-trimethoxybenzamide

IUPAC name

N-{3-butyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-345-trimethoxybenzamide

SMILES

CCCCc1nnc2sc(NC(c(cc3OC)cc(OC)c3OC)=O)nn12

InChI

InChI=1S/C17H21N5O4S/c1-5-6-7-13-19-20-17-22(13)21-16(27-17)18-15(23)10-8-11(24-2)14(26-4)12(9-10)25-3/h8-9H,5-7H2,1-4H3,(H,18,21,23)

InChI Key

MZJITRVAPKUDIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.08

Polar Surface Area

81.351

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G952-2281 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 G952-2281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-2281?
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What is the minimum amount of G952-2281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-2281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-2281
  • 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 G952-2281 available by request