P209-0636 Screening compound: N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide

P209-0636 Screening compound: N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide
P209-0636 Screening compound: N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P209-0636
N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide

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

P209-0636

Molecular Formula

C18H21FN4O2 (C18 H21 FN4 O2)

Compound Name

N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide

IUPAC name

N-[2-(azepan-1-yl)pyrimidin-5-yl]-3-fluoro-4-methoxybenzamide

SMILES

COc(ccc(C(Nc1cnc(N2CCCCCC2)nc1)=O)c1)c1F

InChI

InChI=1S/C18H21FN4O2/c1-25-16-7-6-13(10-15(16)19)17(24)22-14-11-20-18(21-12-14)23-8-4-2-3-5-9-23/h6-7,10-12H,2-5,8-9H2,1H3,(H,22,24)

InChI Key

TYQYGVZBMSWXCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.56

Polar Surface Area

53.285

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P209-0636 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with P209-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P209-0636?
Check Price and Availability of P209-0636, 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 P209-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P209-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P209-0636
  • 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 P209-0636 available by request