M060-0419 Screening compound: 2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

M060-0419 Screening compound: 2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
M060-0419 Screening compound: 2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0419
2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

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

M060-0419

Molecular Formula

C23H22N4O3S (C23 H22 N4 O3 S)

Compound Name

2-({7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl}sulfanyl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-({78-dimethoxy-5H-pyrimido[54-b]indol-4-yl}sulfanyl)-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

COc(c(OC)c1)cc2c1[nH]c1c2ncnc1SCC(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C23H22N4O3S/c1-29-18-9-16-17(10-19(18)30-2)26-22-21(16)24-13-25-23(22)31-12-20(28)27-8-7-14-5-3-4-6-15(14)11-27/h3-6,9-10,13,26H,7-8,11-12H2,1-2H3

InChI Key

ZXFULUVCXPLZDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.34

Polar Surface Area

61.815

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M060-0419 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M060-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0419?
Check Price and Availability of M060-0419, 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 M060-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0419
  • 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 M060-0419 available by request