E157-3492 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-fluorobenzamide

E157-3492 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-fluorobenzamide
E157-3492 Screening compound: N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-3492
N-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-fluorobenzamide

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

E157-3492

Molecular Formula

C18H14FN5O3S (C18 H14 FN5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1nnc2sc(NC(c(cccc3)c3F)=O)nn12)c1)c1OC

InChI

InChI=1S/C18H14FN5O3S/c1-26-13-8-7-10(9-14(13)27-2)15-21-22-18-24(15)23-17(28-18)20-16(25)11-5-3-4-6-12(11)19/h3-9H,1-2H3,(H,20,23,25)

InChI Key

XMKLSHPOQHQJEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.908

Distribution Coefficient, logD

2.710

Water Solubility, LogSw

-3.73

Polar Surface Area

72.386

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E157-3492 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Proline Kinase Library (2105 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with E157-3492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-3492?
Check Price and Availability of E157-3492, 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 E157-3492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-3492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-3492
  • 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 E157-3492 available by request