8017-9876 Screening compound: 2-chloro-4,6-dimethyl-5-nitro-N-(2-phenylethyl)pyridine-3-carboxamide

8017-9876 Screening compound: 2-chloro-4,6-dimethyl-5-nitro-N-(2-phenylethyl)pyridine-3-carboxamide
8017-9876 Screening compound: 2-chloro-4,6-dimethyl-5-nitro-N-(2-phenylethyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9876
2-chloro-4,6-dimethyl-5-nitro-N-(2-phenylethyl)pyridine-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

8017-9876

Molecular Formula

C16H16ClN3O3 (C16 H16 ClN3 O3)

Compound Name

2-chloro-4,6-dimethyl-5-nitro-N-(2-phenylethyl)pyridine-3-carboxamide

IUPAC name

2-chloro-46-dimethyl-5-nitro-N-(2-phenylethyl)pyridine-3-carboxamide

SMILES

Cc1c(C(NCCc2ccccc2)=O)c(Cl)nc(C)c1[N+]([O-])=O

InChI

InChI=1S/C16H16ClN3O3/c1-10-13(15(17)19-11(2)14(10)20(22)23)16(21)18-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,21)

InChI Key

PSRCNGLQUTUBAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.94

Polar Surface Area

67.103

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-9876 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-9876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9876?
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What is the minimum amount of 8017-9876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9876
  • 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 8017-9876 available by request