D457-0077 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide

D457-0077 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide
D457-0077 Screening compound: N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0077
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-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

D457-0077

Molecular Formula

C17H14FN3O2S (C17 H14 FN3 O2 S)

Compound Name

N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide

IUPAC name

N-[3-(4-ethoxyphenyl)-124-thiadiazol-5-yl]-2-fluorobenzamide

SMILES

CCOc(cc1)ccc1-c1nsc(NC(c(cccc2)c2F)=O)n1

InChI

InChI=1S/C17H14FN3O2S/c1-2-23-12-9-7-11(8-10-12)15-19-17(24-21-15)20-16(22)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,19,20,21,22)

InChI Key

VRIJDVZBDMAZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12921307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.26

Polar Surface Area

51.041

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D457-0077 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 D457-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0077?
Check Price and Availability of D457-0077, 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 D457-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0077
  • 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 D457-0077 available by request