M180-0685 Screening compound: N-butyl-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy}-N-methylacetamide

M180-0685 Screening compound: N-butyl-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy}-N-methylacetamide
M180-0685 Screening compound: N-butyl-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M180-0685
N-butyl-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy}-N-methylacetamide

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

M180-0685

Molecular Formula

C18H22FN3O2 (C18 H22 FN3 O2)

Compound Name

N-butyl-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy}-N-methylacetamide

IUPAC name

N-butyl-2-{[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy}-N-methylacetamide

SMILES

CCCCN(C)C(COc1cc(C)nc(-c(cc2)ccc2F)n1)=O

InChI

InChI=1S/C18H22FN3O2/c1-4-5-10-22(3)17(23)12-24-16-11-13(2)20-18(21-16)14-6-8-15(19)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3

InChI Key

WXPFSDAVZOIEFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27533651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-3.77

Polar Surface Area

41.617

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

M180-0685 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M180-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M180-0685?
Check Price and Availability of M180-0685, 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 M180-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M180-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M180-0685
  • 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 M180-0685 available by request