C281-0105 Screening compound: N-[2-(2-methyl-1H-indol-1-yl)ethyl]-3-nitrobenzamide

C281-0105 Screening compound: N-[2-(2-methyl-1H-indol-1-yl)ethyl]-3-nitrobenzamide
C281-0105 Screening compound: N-[2-(2-methyl-1H-indol-1-yl)ethyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C281-0105
N-[2-(2-methyl-1H-indol-1-yl)ethyl]-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

C281-0105

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(cccc2)c2n1CCNC(c1cccc([N+]([O-])=O)c1)=O

InChI

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

InChI Key

CDWOQWSVVMPTOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04463375

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

3.348

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.57

Polar Surface Area

59.549

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C281-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C281-0105?
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What is the minimum amount of C281-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C281-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C281-0105
  • 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 C281-0105 available by request