M568-0036 Screening compound: 2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

M568-0036 Screening compound: 2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide
M568-0036 Screening compound: 2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M568-0036
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-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

M568-0036

Molecular Formula

C22H19F3N4O2 (C22 H19 F3 N4 O2)

Compound Name

2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxamide

IUPAC name

2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-5H6H7H8H-pyrido[43-d]pyrimidine-6-carboxamide

SMILES

COc(cc1)ccc1-c1nc(CCN(C2)C(Nc3c(C(F)(F)F)cccc3)=O)c2cn1

InChI

InChI=1S/C22H19F3N4O2/c1-31-16-8-6-14(7-9-16)20-26-12-15-13-29(11-10-18(15)27-20)21(30)28-19-5-3-2-4-17(19)22(23,24)25/h2-9,12H,10-11,13H2,1H3,(H,28,30)

InChI Key

AQMNYXNZAYSGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.41

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

4.518

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.16

Polar Surface Area

52.538

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

M568-0036 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M568-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M568-0036?
Check Price and Availability of M568-0036, 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 M568-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M568-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M568-0036
  • 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 M568-0036 available by request