Y041-1579 Screening compound: 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

Y041-1579 Screening compound: 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Y041-1579 Screening compound: 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1579
6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

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

Y041-1579

Molecular Formula

C23H22ClNO6 (C23 H22 ClNO6)

Compound Name

6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

IUPAC name

6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

SMILES

CCC(c(c(O1)c2)cc(Cl)c2OC(CCCNC(OCc2ccccc2)=O)=O)=CC1=O

InChI

InChI=1S/C23H22ClNO6/c1-2-16-11-22(27)30-19-13-20(18(24)12-17(16)19)31-21(26)9-6-10-25-23(28)29-14-15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H,25,28)

InChI Key

IXFHJTKQKDZMFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04030669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.61

Polar Surface Area

73.498

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with Y041-1579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1579?
Check Price and Availability of Y041-1579, 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 Y041-1579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1579
  • 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 Y041-1579 available by request