G952-1864 Screening compound: N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide

G952-1864 Screening compound: N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide
G952-1864 Screening compound: N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-1864
N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide

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

G952-1864

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

N-[3-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide

IUPAC name

N-[3-(3-methylphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-phenoxybutanamide

SMILES

CCC(C(Nc(s1)nn2c1nnc2-c1cc(C)ccc1)=O)Oc1ccccc1

InChI

InChI=1S/C20H19N5O2S/c1-3-16(27-15-10-5-4-6-11-15)18(26)21-19-24-25-17(22-23-20(25)28-19)14-9-7-8-13(2)12-14/h4-12,16H,3H2,1-2H3,(H,21,24,26)/t16-/m0/s1

InChI Key

MOQNNAIQUOUJEO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27170366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.26

Polar Surface Area

63.797

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with G952-1864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-1864?
Check Price and Availability of G952-1864, 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 G952-1864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-1864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-1864
  • 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 G952-1864 available by request