Y040-3160 Screening compound: methyl 4,5-dimethoxy-2-[3-(2-oxo-2H-chromen-3-yl)benzamido]benzoate

Y040-3160 Screening compound: methyl 4,5-dimethoxy-2-[3-(2-oxo-2H-chromen-3-yl)benzamido]benzoate
Y040-3160 Screening compound: methyl 4,5-dimethoxy-2-[3-(2-oxo-2H-chromen-3-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3160
methyl 4,5-dimethoxy-2-[3-(2-oxo-2H-chromen-3-yl)benzamido]benzoate

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

Y040-3160

Molecular Formula

C26H21NO7 (C26 H21 NO7)

Compound Name

methyl 4,5-dimethoxy-2-[3-(2-oxo-2H-chromen-3-yl)benzamido]benzoate

IUPAC name

methyl 45-dimethoxy-2-[3-(2-oxo-2H-chromen-3-yl)benzamido]benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(c1cccc(C2=Cc(cccc3)c3OC2=O)c1)=O)=O

InChI

InChI=1S/C26H21NO7/c1-31-22-13-19(25(29)33-3)20(14-23(22)32-2)27-24(28)17-9-6-8-15(11-17)18-12-16-7-4-5-10-21(16)34-26(18)30/h4-14H,1-3H3,(H,27,28)

InChI Key

OFRUVPDUWLDEPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09845149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.773

Distribution Coefficient, logD

1.864

Water Solubility, LogSw

-4.19

Polar Surface Area

79.717

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

-4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

Y040-3160 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 Y040-3160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3160?
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What is the minimum amount of Y040-3160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3160
  • 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 Y040-3160 available by request