C281-0069 Screening compound: N-[2-(1H-indol-1-yl)ethyl]-4-methyl-3-nitrobenzamide

C281-0069 Screening compound: N-[2-(1H-indol-1-yl)ethyl]-4-methyl-3-nitrobenzamide
C281-0069 Screening compound: N-[2-(1H-indol-1-yl)ethyl]-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C281-0069
N-[2-(1H-indol-1-yl)ethyl]-4-methyl-3-nitrobenzamide

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

C281-0069

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

N-[2-(1H-indol-1-yl)ethyl]-4-methyl-3-nitrobenzamide

IUPAC name

N-[2-(1H-indol-1-yl)ethyl]-4-methyl-3-nitrobenzamide

SMILES

Cc(ccc(C(NCCn(cc1)c2c1cccc2)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H17N3O3/c1-13-6-7-15(12-17(13)21(23)24)18(22)19-9-11-20-10-8-14-4-2-3-5-16(14)20/h2-8,10,12H,9,11H2,1H3,(H,19,22)

InChI Key

RKNGXUIBTMGICV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04463349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.56

Polar Surface Area

59.663

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C281-0069 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C281-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C281-0069?
Check Price and Availability of C281-0069, 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 C281-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C281-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C281-0069
  • 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 C281-0069 available by request