L881-0168 Screening compound: N-[(2-ethoxyphenyl)methyl]-3-(4-methylbenzamido)-1H-indole-2-carboxamide

L881-0168 Screening compound: N-[(2-ethoxyphenyl)methyl]-3-(4-methylbenzamido)-1H-indole-2-carboxamide
L881-0168 Screening compound: N-[(2-ethoxyphenyl)methyl]-3-(4-methylbenzamido)-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L881-0168
N-[(2-ethoxyphenyl)methyl]-3-(4-methylbenzamido)-1H-indole-2-carboxamide

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

L881-0168

Molecular Formula

C26H25N3O3 (C26 H25 N3 O3)

Compound Name

N-[(2-ethoxyphenyl)methyl]-3-(4-methylbenzamido)-1H-indole-2-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-3-(4-methylbenzamido)-1H-indole-2-carboxamide

SMILES

CCOc1c(CNC(c([nH]c2c3cccc2)c3NC(c2ccc(C)cc2)=O)=O)cccc1

InChI

InChI=1S/C26H25N3O3/c1-3-32-22-11-7-4-8-19(22)16-27-26(31)24-23(20-9-5-6-10-21(20)28-24)29-25(30)18-14-12-17(2)13-15-18/h4-15,28H,3,16H2,1-2H3,(H,27,31)(H,29,30)

InChI Key

DDDMVEVLDZAXAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15136137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.258

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.25

Polar Surface Area

63.677

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

L881-0168 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L881-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L881-0168?
Check Price and Availability of L881-0168, 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 L881-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L881-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L881-0168
  • 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 L881-0168 available by request