Y040-2224 Screening compound: tert-butyl 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

Y040-2224 Screening compound: tert-butyl 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate
Y040-2224 Screening compound: tert-butyl 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2224
tert-butyl 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-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

Y040-2224

Molecular Formula

C19H21ClO5 (C19 H21 ClO5)

Compound Name

tert-butyl 2-({2-chloro-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

IUPAC name

tert-butyl 2-({2-chloro-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetate

SMILES

CC(C)(C)OC(COc(cc(c(C1=C2CCCC1)c1)OC2=O)c1Cl)=O

InChI

InChI=1S/C19H21ClO5/c1-19(2,3)25-17(21)10-23-16-9-15-13(8-14(16)20)11-6-4-5-7-12(11)18(22)24-15/h8-9H,4-7,10H2,1-3H3

InChI Key

YPBLZRQLASXNOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

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

4.927

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-4.88

Polar Surface Area

47.935

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with Y040-2224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2224?
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What is the minimum amount of Y040-2224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2224
  • 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 Y040-2224 available by request