M060-0105 Screening compound: 2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

M060-0105 Screening compound: 2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
M060-0105 Screening compound: 2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M060-0105
2-{5H-pyrimido[5,4-b]indol-4-ylsulfanyl}-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

M060-0105

Molecular Formula

C21H18N4OS (C21 H18 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1ncnc2c1[nH]c1c2cccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H18N4OS/c26-18(25-10-9-14-5-1-2-6-15(14)11-25)12-27-21-20-19(22-13-23-21)16-7-3-4-8-17(16)24-20/h1-8,13,24H,9-12H2

InChI Key

UCTAJROAAWTRSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.82

Polar Surface Area

46.554

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M060-0105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M060-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M060-0105?
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What is the minimum amount of M060-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M060-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M060-0105
  • 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 M060-0105 available by request