G952-1876 Screening compound: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide

G952-1876 Screening compound: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide
G952-1876 Screening compound: N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-1876
N-[3-(4-ethoxyphenyl)-[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

G952-1876

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

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

IUPAC name

N-[3-(4-ethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-2-phenoxybutanamide

SMILES

CCC(C(Nc(s1)nn2c1nnc2-c(cc1)ccc1OCC)=O)Oc1ccccc1

InChI

InChI=1S/C21H21N5O3S/c1-3-17(29-16-8-6-5-7-9-16)19(27)22-20-25-26-18(23-24-21(26)30-20)14-10-12-15(13-11-14)28-4-2/h5-13,17H,3-4H2,1-2H3,(H,22,25,27)/t17-/m0/s1

InChI Key

JOMRAFUCNRCHLG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27170368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.14

Polar Surface Area

70.921

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

G952-1876 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G952-1876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-1876?
Check Price and Availability of G952-1876, 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 G952-1876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-1876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-1876
  • 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 G952-1876 available by request