M567-0108 Screening compound: 6-(3-bromobenzoyl)-2-(4-methoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

M567-0108 Screening compound: 6-(3-bromobenzoyl)-2-(4-methoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
M567-0108 Screening compound: 6-(3-bromobenzoyl)-2-(4-methoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M567-0108
6-(3-bromobenzoyl)-2-(4-methoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

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

M567-0108

Molecular Formula

C21H18BrN3O2 (C21 H18 BrN3 O2)

Compound Name

6-(3-bromobenzoyl)-2-(4-methoxyphenyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc(CCN(C2)C(c3cccc(Br)c3)=O)c2cn1

InChI

InChI=1S/C21H18BrN3O2/c1-27-18-7-5-14(6-8-18)20-23-12-16-13-25(10-9-19(16)24-20)21(26)15-3-2-4-17(22)11-15/h2-8,11-12H,9-10,13H2,1H3

InChI Key

KWZCKOGALVKACY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27547411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.13

Polar Surface Area

44.415

Acid Dissociation Constant (pKa)

19.64

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M567-0108 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M567-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M567-0108?
Check Price and Availability of M567-0108, 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 M567-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M567-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M567-0108
  • 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 M567-0108 available by request