Y040-7913 Screening compound: 3,5-bis(acetyloxy)-2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-4-yl acetate

Y040-7913 Screening compound: 3,5-bis(acetyloxy)-2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-4-yl acetate
Y040-7913 Screening compound: 3,5-bis(acetyloxy)-2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7913
3,5-bis(acetyloxy)-2-({4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)oxan-4-yl 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

Y040-7913

Molecular Formula

C23H24O10 (C23 H24 O10)

Compound Name

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

IUPAC name

(2S3S4R5R)-35-bis(acetyloxy)-2-({4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl}oxy)oxan-4-yl acetate

SMILES

CC(O[C@@H](CO[C@@H]([C@@H]1OC(C)=O)Oc(cc2)cc(O3)c2C(CCC2)=C2C3=O)[C@@H]1OC(C)=O)=O

InChI

InChI=1S/C23H24O10/c1-11(24)29-19-10-28-23(21(31-13(3)26)20(19)30-12(2)25)32-14-7-8-16-15-5-4-6-17(15)22(27)33-18(16)9-14/h7-9,19-21,23H,4-6,10H2,1-3H3/t19-,20-,21-,23-/m1/s1

InChI Key

RJBASIZMRLVZKT-YYTDSSBASA-N

MDL Number (MFCD)

MFCD05673388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.44

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.80

Polar Surface Area

98.695

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.80

Y040-7913 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-7913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7913?
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What is the minimum amount of Y040-7913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7913
  • 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 Y040-7913 available by request