Y040-8117 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

Y040-8117 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate
Y040-8117 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8117
6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

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

Y040-8117

Molecular Formula

C25H27NO6 (C25 H27 NO6)

Compound Name

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

IUPAC name

6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate

SMILES

CCc(c(OC(C(C(C)C)NC(OCc1ccccc1)=O)=O)c1)cc(C(C)=C2)c1OC2=O

InChI

InChI=1S/C25H27NO6/c1-5-18-12-19-16(4)11-22(27)31-21(19)13-20(18)32-24(28)23(15(2)3)26-25(29)30-14-17-9-7-6-8-10-17/h6-13,15,23H,5,14H2,1-4H3,(H,26,29)/t23-/m0/s1

InChI Key

FIOFKPHCNSFDDC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01547153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

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

5.346

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.39

Polar Surface Area

73.604

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with Y040-8117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8117?
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What is the minimum amount of Y040-8117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8117
  • 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 Y040-8117 available by request