D457-0291 Screening compound: N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide

D457-0291 Screening compound: N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide
D457-0291 Screening compound: N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D457-0291
N-[3-(4-ethoxy-3-methoxyphenyl)-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

D457-0291

Molecular Formula

C18H16FN3O3S (C18 H16 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(-c1nsc(NC(c(cccc2)c2F)=O)n1)c1)c1OC

InChI

InChI=1S/C18H16FN3O3S/c1-3-25-14-9-8-11(10-15(14)24-2)16-20-18(26-22-16)21-17(23)12-6-4-5-7-13(12)19/h4-10H,3H2,1-2H3,(H,20,21,22,23)

InChI Key

NSZKNHDWHNYBCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.15

Polar Surface Area

58.758

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D457-0291 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D457-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D457-0291?
Check Price and Availability of D457-0291, 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 D457-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D457-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D457-0291
  • 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 D457-0291 available by request