Y040-4080 Screening compound: 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-(3,5-dimethylphenyl)acetamide

Y040-4080 Screening compound: 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-(3,5-dimethylphenyl)acetamide
Y040-4080 Screening compound: 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4080
2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-(3,5-dimethylphenyl)acetamide

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

Y040-4080

Molecular Formula

C23H22ClNO4 (C23 H22 ClNO4)

Compound Name

2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-({2-chloro-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(COc(cc(c(C2=C3CCCC2)c2)OC3=O)c2Cl)=O)cc(C)c1

InChI

InChI=1S/C23H22ClNO4/c1-13-7-14(2)9-15(8-13)25-22(26)12-28-21-11-20-18(10-19(21)24)16-5-3-4-6-17(16)23(27)29-20/h7-11H,3-6,12H2,1-2H3,(H,25,26)

InChI Key

RVWGYIJFLSOIMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05990431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.821

Distribution Coefficient, logD

5.821

Water Solubility, LogSw

-5.93

Polar Surface Area

51.544

Acid Dissociation Constant (pKa)

13.03

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with Y040-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4080?
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What is the minimum amount of Y040-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4080
  • 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 Y040-4080 available by request