C281-0190 Screening compound: N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

C281-0190 Screening compound: N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide
C281-0190 Screening compound: N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C281-0190
N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-oxo-2H-chromene-3-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

C281-0190

Molecular Formula

C21H18N2O3 (C21 H18 N2 O3)

Compound Name

N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc1cc(cccc2)c2n1CCNC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C21H18N2O3/c1-14-12-15-6-2-4-8-18(15)23(14)11-10-22-20(24)17-13-16-7-3-5-9-19(16)26-21(17)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)

InChI Key

LZGHFKUPFZPILP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04463401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.40

Polar Surface Area

47.089

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C281-0190 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C281-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C281-0190?
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What is the minimum amount of C281-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C281-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C281-0190
  • 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 C281-0190 available by request