K411-0303 Screening compound: 6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine

K411-0303 Screening compound: 6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine
K411-0303 Screening compound: 6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K411-0303
6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine

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

K411-0303

Molecular Formula

C12H12N4O3 (C12 H12 N4 O3)

Compound Name

6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine

IUPAC name

6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine

SMILES

CCc(cc1)ccc1Oc(ncnc1N)c1[N+]([O-])=O

InChI

InChI=1S/C12H12N4O3/c1-2-8-3-5-9(6-4-8)19-12-10(16(17)18)11(13)14-7-15-12/h3-7H,2H2,1H3,(H2,13,14,15)

InChI Key

YDBRXDUVEPGQTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

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

3.020

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.34

Polar Surface Area

81.030

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K411-0303 in Drug Discovery

Included in Screening Libraries

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 K411-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K411-0303?
Check Price and Availability of K411-0303, 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 K411-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K411-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K411-0303
  • 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 K411-0303 available by request