Y040-8120 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

Y040-8120 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate
Y040-8120 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8120
6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}pentanoate

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

Y040-8120

Molecular Formula

C25H27NO6 (C25 H27 NO6)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C(Oc(c(CC)c1)cc(O2)c1C(C)=CC2=O)=O)NC(OCc1ccccc1)=O

InChI

InChI=1S/C25H27NO6/c1-4-9-20(26-25(29)30-15-17-10-7-6-8-11-17)24(28)32-21-14-22-19(13-18(21)5-2)16(3)12-23(27)31-22/h6-8,10-14,20H,4-5,9,15H2,1-3H3,(H,26,29)/t20-/m0/s1

InChI Key

UWSCVWQEPQAQJU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02667335

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

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.353

Distribution Coefficient, logD

5.353

Water Solubility, LogSw

-5.43

Polar Surface Area

73.882

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with Y040-8120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8120?
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What is the minimum amount of Y040-8120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8120
  • 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 Y040-8120 available by request