5348-0056 Screening compound: (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

5348-0056 Screening compound: (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol
5348-0056 Screening compound: (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5348-0056
(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

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

5348-0056

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

IUPAC name

(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

SMILES

Cn1c(ccc([N+]([O-])=O)c2)c2c(-c2ccccc2)c1CO

InChI

InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3

InChI Key

GNJUKVGDCUKDLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00593702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.229

Distribution Coefficient, logD

3.229

Water Solubility, LogSw

-3.59

Polar Surface Area

52.256

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5348-0056 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 5348-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5348-0056?
Check Price and Availability of 5348-0056, 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 5348-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5348-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5348-0056
  • 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 5348-0056 available by request