8011-3673 Screening compound: 4,6-dimethyl-2-(4-nitrophenoxy)pyrimidine

8011-3673 Screening compound: 4,6-dimethyl-2-(4-nitrophenoxy)pyrimidine
8011-3673 Screening compound: 4,6-dimethyl-2-(4-nitrophenoxy)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3673
4,6-dimethyl-2-(4-nitrophenoxy)pyrimidine

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

8011-3673

Molecular Formula

C12H11N3O3 (C12 H11 N3 O3)

Compound Name

4,6-dimethyl-2-(4-nitrophenoxy)pyrimidine

IUPAC name

46-dimethyl-2-(4-nitrophenoxy)pyrimidine

SMILES

Cc1nc(Oc(cc2)ccc2[N+]([O-])=O)nc(C)c1

InChI

InChI=1S/C12H11N3O3/c1-8-7-9(2)14-12(13-8)18-11-5-3-10(4-6-11)15(16)17/h3-7H,1-2H3

InChI Key

IFJDPIPLLBRMGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-2.86

Polar Surface Area

58.353

Acid Dissociation Constant (pKa)

30.87

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8011-3673 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-3673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3673?
Check Price and Availability of 8011-3673, 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 8011-3673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3673
  • 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 8011-3673 available by request