5842-8665 Screening compound: 6-[(1E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitropyrimidine-2,4-diol

5842-8665 Screening compound: 6-[(1E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitropyrimidine-2,4-diol
5842-8665 Screening compound: 6-[(1E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitropyrimidine-2,4-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5842-8665
6-[(1E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitropyrimidine-2,4-diol

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

5842-8665

Molecular Formula

C17H19N3O6 (C17 H19 N3 O6)

Compound Name

6-[(1E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitropyrimidine-2,4-diol

IUPAC name

6-[(1E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitropyrimidine-24-diol

SMILES

CC(C)COc(ccc(/C=C/c1nc(O)nc(O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C17H19N3O6/c1-10(2)9-26-13-7-5-11(8-14(13)25-3)4-6-12-15(20(23)24)16(21)19-17(22)18-12/h4-8,10H,9H2,1-3H3,(H2,18,19,21,22)

InChI Key

LUKQKODVKFUTNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04231897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

-0.830

Water Solubility, LogSw

-3.73

Polar Surface Area

101.661

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

5842-8665 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5842-8665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5842-8665?
Check Price and Availability of 5842-8665, 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 5842-8665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5842-8665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5842-8665
  • 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 5842-8665 available by request