Y040-7781 Screening compound: ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate

Y040-7781 Screening compound: ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate
Y040-7781 Screening compound: ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7781
ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate

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

Y040-7781

Molecular Formula

C26H22ClNO6S (C26 H22 ClNO6 S)

Compound Name

ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-phenylthiophene-3-carboxylate

SMILES

CCC(c(c(O1)c2)cc(Cl)c2OCC(Nc2c(C(OCC)=O)c(-c3ccccc3)cs2)=O)=CC1=O

InChI

InChI=1S/C26H22ClNO6S/c1-3-15-10-23(30)34-20-12-21(19(27)11-17(15)20)33-13-22(29)28-25-24(26(31)32-4-2)18(14-35-25)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3,(H,28,29)

InChI Key

FFPXVTCMTUYIFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03154989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.864

Distribution Coefficient, logD

5.848

Water Solubility, LogSw

-6.06

Polar Surface Area

71.386

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

Y040-7781 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 Y040-7781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7781?
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What is the minimum amount of Y040-7781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7781
  • 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 Y040-7781 available by request