8017-4266 Screening compound: 5-bromo-N-(propan-2-yl)pyridine-3-carboxamide

8017-4266 Screening compound: 5-bromo-N-(propan-2-yl)pyridine-3-carboxamide
8017-4266 Screening compound: 5-bromo-N-(propan-2-yl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4266
5-bromo-N-(propan-2-yl)pyridine-3-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

8017-4266

Molecular Formula

C9H11BrN2O (C9 H11 BrN2 O)

Compound Name

5-bromo-N-(propan-2-yl)pyridine-3-carboxamide

IUPAC name

5-bromo-N-(propan-2-yl)pyridine-3-carboxamide

SMILES

CC(C)NC(c1cc(Br)cnc1)=O

InChI

InChI=1S/C9H11BrN2O/c1-6(2)12-9(13)7-3-8(10)5-11-4-7/h3-6H,1-2H3,(H,12,13)

InChI Key

IONIYOWDLSXKNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.1

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

1.756

Distribution Coefficient, logD

1.756

Water Solubility, LogSw

-1.84

Polar Surface Area

33.505

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8017-4266 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-4266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4266?
Check Price and Availability of 8017-4266, 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 8017-4266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4266
  • 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 8017-4266 available by request