8013-2891 Screening compound: 2-(3-aminophenoxy)-4,6-dimethyl-5-nitropyridine-3-carbonitrile

8013-2891 Screening compound: 2-(3-aminophenoxy)-4,6-dimethyl-5-nitropyridine-3-carbonitrile
8013-2891 Screening compound: 2-(3-aminophenoxy)-4,6-dimethyl-5-nitropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2891
2-(3-aminophenoxy)-4,6-dimethyl-5-nitropyridine-3-carbonitrile

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

8013-2891

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

2-(3-aminophenoxy)-4,6-dimethyl-5-nitropyridine-3-carbonitrile

IUPAC name

2-(3-aminophenoxy)-46-dimethyl-5-nitropyridine-3-carbonitrile

SMILES

Cc(c([N+]([O-])=O)c(C)nc1Oc2cc(N)ccc2)c1C#N

InChI

InChI=1S/C14H12N4O3/c1-8-12(7-15)14(17-9(2)13(8)18(19)20)21-11-5-3-4-10(16)6-11/h3-6H,16H2,1-2H3

InChI Key

ZJAAKSQACKLOGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-2.67

Polar Surface Area

87.578

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8013-2891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2891?
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What is the minimum amount of 8013-2891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2891
  • 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 8013-2891 available by request