G952-2099 Screening compound: N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methoxybenzamide

G952-2099 Screening compound: N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methoxybenzamide
G952-2099 Screening compound: N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-2099
N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-methoxybenzamide

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

G952-2099

Molecular Formula

C17H11ClFN5O2S (C17 H11 ClFN5 O2 S)

Compound Name

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

IUPAC name

N-[3-(3-chloro-4-fluorophenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc(s1)nn2c1nnc2-c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C17H11ClFN5O2S/c1-26-11-5-2-9(3-6-11)15(25)20-16-23-24-14(21-22-17(24)27-16)10-4-7-13(19)12(18)8-10/h2-8H,1H3,(H,20,23,25)

InChI Key

STMXFPCYLBSZKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.823

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-4.50

Polar Surface Area

64.669

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

G952-2099 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G952-2099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-2099?
Check Price and Availability of G952-2099, 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 G952-2099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-2099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-2099
  • 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 G952-2099 available by request