M569-0059 Screening compound: 3-CHLOROBENZYL [2-(4-METHOXYPHENYL)-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL] SULFONE

M569-0059 Screening compound: 3-CHLOROBENZYL [2-(4-METHOXYPHENYL)-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL] SULFONE
M569-0059 Screening compound: 3-CHLOROBENZYL [2-(4-METHOXYPHENYL)-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL] SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M569-0059
3-CHLOROBENZYL [2-(4-METHOXYPHENYL)-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL] SULFONE

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

M569-0059

Molecular Formula

C21H20ClN3O3S (C21 H20 ClN3 O3 S)

Compound Name

3-CHLOROBENZYL [2-(4-METHOXYPHENYL)-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL] SULFONE

IUPAC name

6-[(3-chlorophenyl)methanesulfonyl]-2-(4-methoxyphenyl)-5H6H7H8H-pyrido[43-d]pyrimidine

SMILES

COc(cc1)ccc1-c1nc(CCN(C2)S(Cc3cccc(Cl)c3)(=O)=O)c2cn1

InChI

InChI=1S/C21H20ClN3O3S/c1-28-19-7-5-16(6-8-19)21-23-12-17-13-25(10-9-20(17)24-21)29(26,27)14-15-3-2-4-18(22)11-15/h2-8,11-12H,9-10,13-14H2,1H3

InChI Key

VRGXEGIJSIVRKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.42

Polar Surface Area

59.371

Acid Dissociation Constant (pKa)

19.91

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

M569-0059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M569-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M569-0059?
Check Price and Availability of M569-0059, 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 M569-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M569-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M569-0059
  • 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 M569-0059 available by request