Y040-1187 Screening compound: methyl 2-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y040-1187 Screening compound: methyl 2-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y040-1187 Screening compound: methyl 2-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1187
methyl 2-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-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

Y040-1187

Molecular Formula

C24H25NO6S (C24 H25 NO6 S)

Compound Name

methyl 2-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(c(ccc(OCC(Nc1c(C(OC)=O)c(CCCC2)c2s1)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C24H25NO6S/c1-4-14-11-20(27)31-22-13(2)17(10-9-15(14)22)30-12-19(26)25-23-21(24(28)29-3)16-7-5-6-8-18(16)32-23/h9-11H,4-8,12H2,1-3H3,(H,25,26)

InChI Key

KKHCDZGCRRWCOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03486712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-4.68

Polar Surface Area

71.682

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y040-1187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1187?
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What is the minimum amount of Y040-1187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1187
  • 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 Y040-1187 available by request