Y041-2449 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

Y041-2449 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Y041-2449 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2449
3,6-dichloro-4-methyl-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

Y041-2449

Molecular Formula

C22H19Cl2NO6 (C22 H19 Cl2 NO6)

Compound Name

3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

IUPAC name

36-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

SMILES

CC(c(cc(c(OC(CCCNC(OCc1ccccc1)=O)=O)c1)Cl)c1OC1=O)=C1Cl

InChI

InChI=1S/C22H19Cl2NO6/c1-13-15-10-16(23)18(11-17(15)31-21(27)20(13)24)30-19(26)8-5-9-25-22(28)29-12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,25,28)

InChI Key

QBPPDJCNTQRRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02171053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.680

Distribution Coefficient, logD

4.680

Water Solubility, LogSw

-4.93

Polar Surface Area

74.013

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with Y041-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2449?
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What is the minimum amount of Y041-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2449
  • 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 Y041-2449 available by request