5228-3576 Screening compound: N-(5-BROMOPYRIDIN-2-YL)-3,3-DIMETHYL-2-METHYLIDENEBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE

5228-3576 Screening compound: N-(5-BROMOPYRIDIN-2-YL)-3,3-DIMETHYL-2-METHYLIDENEBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE
5228-3576 Screening compound: N-(5-BROMOPYRIDIN-2-YL)-3,3-DIMETHYL-2-METHYLIDENEBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-3576
N-(5-BROMOPYRIDIN-2-YL)-3,3-DIMETHYL-2-METHYLIDENEBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE

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

5228-3576

Molecular Formula

C16H19BrN2O (C16 H19 BrN2 O)

Compound Name

N-(5-BROMOPYRIDIN-2-YL)-3,3-DIMETHYL-2-METHYLIDENEBICYCLO[2.2.1]HEPTANE-1-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(C)(C(CC1)CC11C(Nc(cc2)ncc2Br)=O)C1=C

InChI

InChI=1S/C16H19BrN2O/c1-10-15(2,3)11-6-7-16(10,8-11)14(20)19-13-5-4-12(17)9-18-13/h4-5,9,11H,1,6-8H2,2-3H3,(H,18,19,20)

InChI Key

JFRVHPDRVYPLSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03469446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.02

Polar Surface Area

33.879

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

5228-3576 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5228-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-3576?
Check Price and Availability of 5228-3576, 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 5228-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-3576
  • 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 5228-3576 available by request