1012-0492 Screening compound: 6-[(1E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol

1012-0492 Screening compound: 6-[(1E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol
1012-0492 Screening compound: 6-[(1E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1012-0492
6-[(1E)-2-(3-bromo-4-methoxyphenyl)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

1012-0492

Molecular Formula

C13H10BrN3O5 (C13 H10 BrN3 O5)

Compound Name

6-[(1E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-2,4-diol

IUPAC name

6-[(1E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-5-nitropyrimidine-24-diol

SMILES

COc(ccc(/C=C/c1nc(O)nc(O)c1[N+]([O-])=O)c1)c1Br

InChI

InChI=1S/C13H10BrN3O5/c1-22-10-5-3-7(6-8(10)14)2-4-9-11(17(20)21)12(18)16-13(19)15-9/h2-6H,1H3,(H2,15,16,18,19)

InChI Key

POTVOLOHYPSKQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.14

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

-1.607

Water Solubility, LogSw

-3.02

Polar Surface Area

94.075

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1012-0492 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 1012-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1012-0492?
Check Price and Availability of 1012-0492, 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 1012-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1012-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1012-0492
  • 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 1012-0492 available by request