Y041-1455 Screening compound: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

Y041-1455 Screening compound: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate
Y041-1455 Screening compound: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1455
6-chloro-3,4-dimethyl-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

Y041-1455

Molecular Formula

C23H22ClNO6 (C23 H22 ClNO6)

Compound Name

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

IUPAC name

6-chloro-34-dimethyl-2-oxo-2H-chromen-7-yl 4-{[(benzyloxy)carbonyl]amino}butanoate

SMILES

CC(c(c(O1)c2)cc(Cl)c2OC(CCCNC(OCc2ccccc2)=O)=O)=C(C)C1=O

InChI

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

InChI Key

JVJZJRWHAQFDQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04026601

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.74

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

26.10

References: we are preparing a list of scientific research reports with Y041-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1455?
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What is the minimum amount of Y041-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1455
  • 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 Y041-1455 available by request