Y040-7681 Screening compound: N-(3-chloro-4-methylphenyl)-2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamide

Y040-7681 Screening compound: N-(3-chloro-4-methylphenyl)-2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamide
Y040-7681 Screening compound: N-(3-chloro-4-methylphenyl)-2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7681
N-(3-chloro-4-methylphenyl)-2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)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

Y040-7681

Molecular Formula

C28H32ClNO4 (C28 H32 ClNO4)

Compound Name

N-(3-chloro-4-methylphenyl)-2-({2-hexyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-({2-hexyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetamide

SMILES

CCCCCCc(cc(C(CCCC1)=C1C(O1)=O)c1c1)c1OCC(Nc1cc(Cl)c(C)cc1)=O

InChI

InChI=1S/C28H32ClNO4/c1-3-4-5-6-9-19-14-23-21-10-7-8-11-22(21)28(32)34-26(23)16-25(19)33-17-27(31)30-20-13-12-18(2)24(29)15-20/h12-16H,3-11,17H2,1-2H3,(H,30,31)

InChI Key

WJUPPQYYUHUKBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03476096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.682

Distribution Coefficient, logD

8.682

Water Solubility, LogSw

-6.55

Polar Surface Area

51.544

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with Y040-7681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7681?
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What is the minimum amount of Y040-7681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7681
  • 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 Y040-7681 available by request