Y040-2327 Screening compound: methyl 2-{6-chloro-7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

Y040-2327 Screening compound: methyl 2-{6-chloro-7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate
Y040-2327 Screening compound: methyl 2-{6-chloro-7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2327
methyl 2-{6-chloro-7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

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

Y040-2327

Molecular Formula

C22H21ClO5 (C22 H21 ClO5)

Compound Name

methyl 2-{6-chloro-7-[(3,5-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

IUPAC name

methyl 2-{6-chloro-7-[(35-dimethylphenyl)methoxy]-4-methyl-2-oxo-2H-chromen-3-yl}acetate

SMILES

Cc1cc(COc(cc(c(C(C)=C2CC(OC)=O)c3)OC2=O)c3Cl)cc(C)c1

InChI

InChI=1S/C22H21ClO5/c1-12-5-13(2)7-15(6-12)11-27-20-10-19-16(8-18(20)23)14(3)17(22(25)28-19)9-21(24)26-4/h5-8,10H,9,11H2,1-4H3

InChI Key

ZJZHCAXIBSGVAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04025493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.860

Distribution Coefficient, logD

5.860

Water Solubility, LogSw

-6.03

Polar Surface Area

49.053

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y040-2327 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-2327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2327?
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What is the minimum amount of Y040-2327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2327
  • 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 Y040-2327 available by request