Y040-0785 Screening compound: 3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl cyclopropanecarboxylate

Y040-0785 Screening compound: 3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl cyclopropanecarboxylate
Y040-0785 Screening compound: 3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl cyclopropanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0785
3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl cyclopropanecarboxylate

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

Y040-0785

Molecular Formula

C18H18O4 (C18 H18 O4)

Compound Name

3-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl cyclopropanecarboxylate

IUPAC name

3-methyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-1-yl cyclopropanecarboxylate

SMILES

Cc1cc(OC(C2=C3CCCC2)=O)c3c(OC(C2CC2)=O)c1

InChI

InChI=1S/C18H18O4/c1-10-8-14(21-17(19)11-6-7-11)16-12-4-2-3-5-13(12)18(20)22-15(16)9-10/h8-9,11H,2-7H2,1H3

InChI Key

PNFLISGUMASQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.36

Polar Surface Area

42.068

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with Y040-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0785?
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What is the minimum amount of Y040-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0785
  • 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 Y040-0785 available by request