8016-2509 Screening compound: 6-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)-1-ethenyl]-5-nitro-2,4(1H,3H)-pyrimidinedione

8016-2509 Screening compound: 6-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)-1-ethenyl]-5-nitro-2,4(1H,3H)-pyrimidinedione
8016-2509 Screening compound: 6-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)-1-ethenyl]-5-nitro-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2509
6-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)-1-ethenyl]-5-nitro-2,4(1H,3H)-pyrimidinedione

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

8016-2509

Molecular Formula

C14H12BrN3O6 (C14 H12 BrN3 O6)

Compound Name

6-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)-1-ethenyl]-5-nitro-2,4(1H,3H)-pyrimidinedione

IUPAC name

6-[(1E)-2-(3-bromo-45-dimethoxyphenyl)ethenyl]-5-nitro-1234-tetrahydropyrimidine-24-dione

SMILES

COc1cc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)cc(Br)c1OC

InChI

InChI=1S/C14H12BrN3O6/c1-23-10-6-7(5-8(15)12(10)24-2)3-4-9-11(18(21)22)13(19)17-14(20)16-9/h3-6H,1-2H3,(H2,16,17,19,20)

InChI Key

CRYUKTOYWWHZJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.17

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

-0.998

Water Solubility, LogSw

-2.80

Polar Surface Area

97.755

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

-6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8016-2509 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-2509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2509?
Check Price and Availability of 8016-2509, 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 8016-2509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2509
  • 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 8016-2509 available by request