C281-0052 Screening compound: 3,4,5-triethoxy-N-[2-(1H-indol-1-yl)ethyl]benzamide

C281-0052 Screening compound: 3,4,5-triethoxy-N-[2-(1H-indol-1-yl)ethyl]benzamide
C281-0052 Screening compound: 3,4,5-triethoxy-N-[2-(1H-indol-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C281-0052
3,4,5-triethoxy-N-[2-(1H-indol-1-yl)ethyl]benzamide

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

C281-0052

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

3,4,5-triethoxy-N-[2-(1H-indol-1-yl)ethyl]benzamide

IUPAC name

345-triethoxy-N-[2-(1H-indol-1-yl)ethyl]benzamide

SMILES

CCOc1cc(C(NCCn(cc2)c3c2cccc3)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H28N2O4/c1-4-27-20-15-18(16-21(28-5-2)22(20)29-6-3)23(26)24-12-14-25-13-11-17-9-7-8-10-19(17)25/h7-11,13,15-16H,4-6,12,14H2,1-3H3,(H,24,26)

InChI Key

SJYKWUFAKBJAAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04463333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-3.88

Polar Surface Area

48.300

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C281-0052 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 C281-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C281-0052?
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What is the minimum amount of C281-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C281-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C281-0052
  • 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 C281-0052 available by request