8015-2334 Screening compound: ethyl 2-(benzoylamino)-5-((Z)-1-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-oxo-3(4H)-thiophenecarboxylate

8015-2334 Screening compound: ethyl 2-(benzoylamino)-5-((Z)-1-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-oxo-3(4H)-thiophenecarboxylate
8015-2334 Screening compound: ethyl 2-(benzoylamino)-5-((Z)-1-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-oxo-3(4H)-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2334
ethyl 2-(benzoylamino)-5-((Z)-1-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-oxo-3(4H)-thiophenecarboxylate

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

8015-2334

Molecular Formula

C28H21ClFNO5S (C28 H21 ClFNO5 S)

Compound Name

ethyl 2-(benzoylamino)-5-((Z)-1-{3-chloro-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-oxo-3(4H)-thiophenecarboxylate

IUPAC name

ethyl (5Z)-2-benzamido-5-({3-chloro-4-[(4-fluorophenyl)methoxy]phenyl}methylidene)-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(NC(c2ccccc2)=O)S/C1=C\c(cc1)cc(Cl)c1OCc(cc1)ccc1F)=O

InChI

InChI=1S/C28H21ClFNO5S/c1-2-35-28(34)24-25(32)23(37-27(24)31-26(33)19-6-4-3-5-7-19)15-18-10-13-22(21(29)14-18)36-16-17-8-11-20(30)12-9-17/h3-15H,2,16H2,1H3,(H,31,33)

InChI Key

NSOAVZRCCLGUQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03783982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.141

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-6.16

Polar Surface Area

63.610

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

-6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.71

8015-2334 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 8015-2334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2334?
Check Price and Availability of 8015-2334, 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 8015-2334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2334
  • 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 8015-2334 available by request