Y040-1898 Screening compound: tert-butyl 2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate

Y040-1898 Screening compound: tert-butyl 2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate
Y040-1898 Screening compound: tert-butyl 2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1898
tert-butyl 2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]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

Y040-1898

Molecular Formula

C18H22O5 (C18 H22 O5)

Compound Name

tert-butyl 2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate

IUPAC name

tert-butyl 2-[(348-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate

SMILES

CC(C)(C)OC(COc(cc1)c(C)c(O2)c1C(C)=C(C)C2=O)=O

InChI

InChI=1S/C18H22O5/c1-10-11(2)17(20)22-16-12(3)14(8-7-13(10)16)21-9-15(19)23-18(4,5)6/h7-8H,9H2,1-6H3

InChI Key

MKHUCLQRZWVOKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.09

Polar Surface Area

47.698

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with Y040-1898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1898?
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What is the minimum amount of Y040-1898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1898
  • 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 Y040-1898 available by request