P209-0578 Screening compound: N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenyl)acetamide

P209-0578 Screening compound: N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenyl)acetamide
P209-0578 Screening compound: N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P209-0578
N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenyl)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

P209-0578

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenyl)acetamide

IUPAC name

N-[2-(azepan-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(CC(Nc2cnc(N3CCCCCC3)nc2)=O)cc1

InChI

InChI=1S/C19H24N4O2/c1-25-17-8-6-15(7-9-17)12-18(24)22-16-13-20-19(21-14-16)23-10-4-2-3-5-11-23/h6-9,13-14H,2-5,10-12H2,1H3,(H,22,24)

InChI Key

WIEAHKAJFSELSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.35

Polar Surface Area

52.985

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P209-0578 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P209-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P209-0578?
Check Price and Availability of P209-0578, 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 P209-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P209-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P209-0578
  • 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 P209-0578 available by request