8020-0585 Screening compound: N~1~-(5-bromo-2-pyridyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide

8020-0585 Screening compound: N~1~-(5-bromo-2-pyridyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide
8020-0585 Screening compound: N~1~-(5-bromo-2-pyridyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0585
N~1~-(5-bromo-2-pyridyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide

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

8020-0585

Molecular Formula

C18H19BrN4O2 (C18 H19 BrN4 O2)

Compound Name

N~1~-(5-bromo-2-pyridyl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)acetamide

IUPAC name

N-(5-bromopyridin-2-yl)-2-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}acetamide

SMILES

O=C(CN(CC(C1)CN23)CC1C3=CC=CC2=O)Nc(cc1)ncc1Br

InChI

InChI=1S/C18H19BrN4O2/c19-14-4-5-16(20-7-14)21-17(24)11-22-8-12-6-13(10-22)15-2-1-3-18(25)23(15)9-12/h1-5,7,12-13H,6,8-11H2,(H,20,21,24)

InChI Key

DGZSWQJKPAGCRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.05

Polar Surface Area

52.524

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

8020-0585 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8020-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0585?
Check Price and Availability of 8020-0585, 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 8020-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0585
  • 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 8020-0585 available by request