Y040-5643 Screening compound: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

Y040-5643 Screening compound: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide
Y040-5643 Screening compound: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5643
2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

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

Y040-5643

Molecular Formula

C23H22N2O5 (C23 H22 N2 O5)

Compound Name

2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

IUPAC name

2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES

CC(c(ccc(O)c1)c1O1)=C(CC(NCCc2c[nH]c3c2ccc(OC)c3)=O)C1=O

InChI

InChI=1S/C23H22N2O5/c1-13-17-5-3-15(26)9-21(17)30-23(28)19(13)11-22(27)24-8-7-14-12-25-20-10-16(29-2)4-6-18(14)20/h3-6,9-10,12,25-26H,7-8,11H2,1-2H3,(H,24,27)

InChI Key

DWBFLGOCCPWBNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08742586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.30

Polar Surface Area

80.233

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

Y040-5643 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 Y040-5643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5643?
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What is the minimum amount of Y040-5643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5643
  • 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 Y040-5643 available by request