D291-1854 Screening compound: 5-ethoxy-1-methyl-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

D291-1854 Screening compound: 5-ethoxy-1-methyl-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide
D291-1854 Screening compound: 5-ethoxy-1-methyl-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D291-1854
5-ethoxy-1-methyl-N-[(thiophen-2-yl)methyl]-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

D291-1854

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

5-ethoxy-1-methyl-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

IUPAC name

5-ethoxy-1-methyl-N-[(thiophen-2-yl)methyl]-1H-indole-2-carboxamide

SMILES

CCOc(cc1)cc2c1n(C)c(C(NCc1cccs1)=O)c2

InChI

InChI=1S/C17H18N2O2S/c1-3-21-13-6-7-15-12(9-13)10-16(19(15)2)17(20)18-11-14-5-4-8-22-14/h4-10H,3,11H2,1-2H3,(H,18,20)

InChI Key

LBSUMFWBPBFBGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.84

Polar Surface Area

34.329

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D291-1854 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D291-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D291-1854?
Check Price and Availability of D291-1854, 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 D291-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D291-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D291-1854
  • 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 D291-1854 available by request