Y040-7899 Screening compound: [3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate

Y040-7899 Screening compound: [3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate
Y040-7899 Screening compound: [3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7899
[3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-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

Y040-7899

Molecular Formula

C29H34O12 (C29 H34 O12)

Compound Name

[3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate

IUPAC name

[(2R3R4S5R6S)-345-tris(acetyloxy)-6-({4-methyl-6-oxo-6H7H8H9H10H11H-cyclohepta[c]chromen-3-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(CCCCC1)=C1C2=O)=O

InChI

InChI=1S/C29H34O12/c1-14-22(12-11-20-19-9-7-6-8-10-21(19)28(34)41-24(14)20)39-29-27(38-18(5)33)26(37-17(4)32)25(36-16(3)31)23(40-29)13-35-15(2)30/h11-12,23,25-27,29H,6-10,13H2,1-5H3/t23-,25+,26-,27-,29-/m0/s1

InChI Key

JELIPEDUSHCZAP-MLJVDHFFSA-N

MDL Number (MFCD)

MFCD10040555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.58

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

4.090

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.31

Polar Surface Area

119.081

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with Y040-7899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7899?
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What is the minimum amount of Y040-7899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7899
  • 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 Y040-7899 available by request