Y040-7925 Screening compound: [3,4,5-tris(acetyloxy)-6-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate

Y040-7925 Screening compound: [3,4,5-tris(acetyloxy)-6-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate
Y040-7925 Screening compound: [3,4,5-tris(acetyloxy)-6-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7925
[3,4,5-tris(acetyloxy)-6-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[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

Y040-7925

Molecular Formula

C27H29ClO12 (C27 H29 ClO12)

Compound Name

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

IUPAC name

[(2R3S4S5R6S)-345-tris(acetyloxy)-6-({2-chloro-6-oxo-6H7H8H9H10H-cyclohexa[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(cc(c(C1=C2CCCC1)c1)OC2=O)c1Cl)=O

InChI

InChI=1S/C27H29ClO12/c1-12(29)34-11-22-23(35-13(2)30)24(36-14(3)31)25(37-15(4)32)27(40-22)39-21-10-20-18(9-19(21)28)16-7-5-6-8-17(16)26(33)38-20/h9-10,22-25,27H,5-8,11H2,1-4H3/t22-,23-,24-,25-,27-/m0/s1

InChI Key

MSFMMJSYVUWAEJ-CPHHOOCTSA-N

MDL Number (MFCD)

MFCD10040560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.97

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

4.083

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.47

Polar Surface Area

119.066

Acid Dissociation Constant (pKa)

24.24

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 Y040-7925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7925?
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What is the minimum amount of Y040-7925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7925
  • 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 Y040-7925 available by request