Y042-2813 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

Y042-2813 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]propanamide
Y042-2813 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-3-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2813
N-[2-(1H-indol-3-yl)ethyl]-3-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

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

Y042-2813

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-3-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-3-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]propanamide

SMILES

Cn(c(C(NCCC(NCCc1c[nH]c2c1cccc2)=O)=O)c1)c(cc2)c1cc2OC

InChI

InChI=1S/C24H26N4O3/c1-28-21-8-7-18(31-2)13-17(21)14-22(28)24(30)26-12-10-23(29)25-11-9-16-15-27-20-6-4-3-5-19(16)20/h3-8,13-15,27H,9-12H2,1-2H3,(H,25,29)(H,26,30)

InChI Key

UYFZGMYCNDQMMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12029231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-3.06

Polar Surface Area

67.756

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y042-2813 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 Y042-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2813?
Check Price and Availability of Y042-2813, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y042-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2813
  • 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 Y042-2813 available by request