G952-0697 Screening compound: 2-ethyl-N-[3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide

G952-0697 Screening compound: 2-ethyl-N-[3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
G952-0697 Screening compound: 2-ethyl-N-[3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0697
2-ethyl-N-[3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide

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

G952-0697

Molecular Formula

C15H16FN5OS (C15 H16 FN5 OS)

Compound Name

2-ethyl-N-[3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide

IUPAC name

2-ethyl-N-[3-(3-fluorophenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]butanamide

SMILES

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

InChI

InChI=1S/C15H16FN5OS/c1-3-9(4-2)13(22)17-14-20-21-12(18-19-15(21)23-14)10-6-5-7-11(16)8-10/h5-9H,3-4H2,1-2H3,(H,17,20,22)

InChI Key

MTDMBHSCCQZWNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.70

Polar Surface Area

57.397

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G952-0697 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 G952-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0697?
Check Price and Availability of G952-0697, 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 G952-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0697
  • 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 G952-0697 available by request