Y040-1954 Screening compound: 3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one

Y040-1954 Screening compound: 3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one
Y040-1954 Screening compound: 3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1954
3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one

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

Y040-1954

Molecular Formula

C17H14O4 (C17 H14 O4)

Compound Name

3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one

IUPAC name

3-[(3-oxobutan-2-yl)oxy]-6H-benzo[c]chromen-6-one

SMILES

CC(C(C)=O)Oc(cc1)cc(O2)c1-c(cccc1)c1C2=O

InChI

InChI=1S/C17H14O4/c1-10(18)11(2)20-12-7-8-14-13-5-3-4-6-15(13)17(19)21-16(14)9-12/h3-9,11H,1-2H3/t11-/m0/s1

InChI Key

NTCZZFLTUKWCHE-NSHDSACASA-N

MDL Number (MFCD)

MFCD01876702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

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

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.37

Polar Surface Area

41.504

Acid Dissociation Constant (pKa)

20.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

Y040-1954 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1954?
Check Price and Availability of Y040-1954, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1954
  • 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 Y040-1954 available by request