Y040-7898 Screening compound: [3,4,5-tris(acetyloxy)-6-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-2-yl]methyl acetate

Y040-7898 Screening compound: [3,4,5-tris(acetyloxy)-6-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-2-yl]methyl acetate
Y040-7898 Screening compound: [3,4,5-tris(acetyloxy)-6-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7898
[3,4,5-tris(acetyloxy)-6-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-2-yl]methyl 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

Y040-7898

Molecular Formula

C27H30O12 (C27 H30 O12)

Compound Name

[3,4,5-tris(acetyloxy)-6-({6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-2-yl]methyl acetate

IUPAC name

[(2R3R4S5R6S)-345-tris(acetyloxy)-6-({6-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)oxan-2-yl]methyl acetate

SMILES

CC(OC[C@@H]([C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)O[C@@H]1Oc(cc1)c(C)c(O2)c1C(CCC1)=C1C2=O)=O

InChI

InChI=1S/C27H30O12/c1-12-20(10-9-18-17-7-6-8-19(17)26(32)39-22(12)18)37-27-25(36-16(5)31)24(35-15(4)30)23(34-14(3)29)21(38-27)11-33-13(2)28/h9-10,21,23-25,27H,6-8,11H2,1-5H3/t21-,23+,24-,25-,27-/m0/s1

InChI Key

LIVSBWIOFFHOTO-MXEJUDAGSA-N

MDL Number (MFCD)

MFCD05674193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.53

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.10

Polar Surface Area

119.116

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with Y040-7898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7898?
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What is the minimum amount of Y040-7898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7898
  • 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 Y040-7898 available by request