Y040-7380 Screening compound: methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoate

Y040-7380 Screening compound: methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoate
Y040-7380 Screening compound: methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7380
methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}methyl)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

Y040-7380

Molecular Formula

C24H17NO7 (C24 H17 NO7)

Compound Name

methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoate

IUPAC name

methyl 4-({[4-(3-nitrophenyl)-2-oxo-2H-chromen-7-yl]oxy}methyl)benzoate

SMILES

COC(c1ccc(COc(cc2)cc(O3)c2C(c2cccc([N+]([O-])=O)c2)=CC3=O)cc1)=O

InChI

InChI=1S/C24H17NO7/c1-30-24(27)16-7-5-15(6-8-16)14-31-19-9-10-20-21(13-23(26)32-22(20)12-19)17-3-2-4-18(11-17)25(28)29/h2-13H,14H2,1H3

InChI Key

GNRZEPPTOPWDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03720690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.75

Polar Surface Area

82.157

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

Y040-7380 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 Y040-7380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7380?
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What is the minimum amount of Y040-7380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7380
  • 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 Y040-7380 available by request