Y040-0873 Screening compound: 3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one

Y040-0873 Screening compound: 3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one
Y040-0873 Screening compound: 3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0873
3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[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

Y040-0873

Molecular Formula

C21H26O4 (C21 H26 O4)

Compound Name

3-(3,3-dimethyl-2-oxobutoxy)-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one

IUPAC name

3-(33-dimethyl-2-oxobutoxy)-4-methyl-6H7H8H9H10H11H-cyclohepta[c]chromen-6-one

SMILES

CC(C)(C)C(COc(cc1)c(C)c(O2)c1C(CCCCC1)=C1C2=O)=O

InChI

InChI=1S/C21H26O4/c1-13-17(24-12-18(22)21(2,3)4)11-10-15-14-8-6-5-7-9-16(14)20(23)25-19(13)15/h10-11H,5-9,12H2,1-4H3

InChI Key

OGWDBZBCHYZEMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.02

Polar Surface Area

41.929

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

Y040-0873 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0873?
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What is the minimum amount of Y040-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0873
  • 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 Y040-0873 available by request