Y040-7983 Screening compound: 6-ethyl-2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

Y040-7983 Screening compound: 6-ethyl-2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate
Y040-7983 Screening compound: 6-ethyl-2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7983
6-ethyl-2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}propanoate

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

Y040-7983

Molecular Formula

C29H27NO7 (C29 H27 NO7)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(OC(C(C)NC(OCc1ccccc1)=O)=O)c1)cc(C2=O)c1OC(C)=C2Oc1ccccc1

InChI

InChI=1S/C29H27NO7/c1-4-21-15-23-25(35-19(3)27(26(23)31)36-22-13-9-6-10-14-22)16-24(21)37-28(32)18(2)30-29(33)34-17-20-11-7-5-8-12-20/h5-16,18H,4,17H2,1-3H3,(H,30,33)/t18-/m0/s1

InChI Key

PUFWEEJFIJURSZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02669382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.993

Distribution Coefficient, logD

5.993

Water Solubility, LogSw

-5.55

Polar Surface Area

80.432

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

Y040-7983 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y040-7983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7983?
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What is the minimum amount of Y040-7983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7983
  • 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 Y040-7983 available by request