M814-0116 Screening compound: N-[(2-fluorophenyl)methyl]-2-methoxypyrimidine-5-carboxamide

M814-0116 Screening compound: N-[(2-fluorophenyl)methyl]-2-methoxypyrimidine-5-carboxamide
M814-0116 Screening compound: N-[(2-fluorophenyl)methyl]-2-methoxypyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M814-0116
N-[(2-fluorophenyl)methyl]-2-methoxypyrimidine-5-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

M814-0116

Molecular Formula

C13H12FN3O2 (C13 H12 FN3 O2)

Compound Name

N-[(2-fluorophenyl)methyl]-2-methoxypyrimidine-5-carboxamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-methoxypyrimidine-5-carboxamide

SMILES

COc(nc1)ncc1C(NCc(cccc1)c1F)=O

InChI

InChI=1S/C13H12FN3O2/c1-19-13-16-7-10(8-17-13)12(18)15-6-9-4-2-3-5-11(9)14/h2-5,7-8H,6H2,1H3,(H,15,18)

InChI Key

WXDVGKRDBYFXLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.726

Distribution Coefficient, logD

1.726

Water Solubility, LogSw

-1.92

Polar Surface Area

51.611

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

M814-0116 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

STING Agonist Library (5895 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with M814-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M814-0116?
Check Price and Availability of M814-0116, 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 M814-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M814-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M814-0116
  • 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 M814-0116 available by request