8012-4457 Screening compound: 2-bromo-N-(3,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide

8012-4457 Screening compound: 2-bromo-N-(3,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide
8012-4457 Screening compound: 2-bromo-N-(3,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4457
2-bromo-N-(3,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide

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

8012-4457

Molecular Formula

C18H20BrNO6 (C18 H20 BrNO6)

Compound Name

2-bromo-N-(3,4-dimethoxyphenyl)-3,4,5-trimethoxybenzamide

IUPAC name

2-bromo-N-(34-dimethoxyphenyl)-345-trimethoxybenzamide

SMILES

COc(ccc(NC(c(c(Br)c1OC)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C18H20BrNO6/c1-22-12-7-6-10(8-13(12)23-2)20-18(21)11-9-14(24-3)16(25-4)17(26-5)15(11)19/h6-9H,1-5H3,(H,20,21)

InChI Key

OHJADRFFGIZWFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.70

Polar Surface Area

61.655

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8012-4457 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8012-4457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4457?
Check Price and Availability of 8012-4457, 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 8012-4457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4457
  • 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 8012-4457 available by request