M142-0111 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-ethanone

M142-0111 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-ethanone
M142-0111 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M142-0111
1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-ethanone

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

M142-0111

Molecular Formula

C21H21N7OS2 (C21 H21 N7 OS2)

Compound Name

1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-{[8-(1-pyrrolidinyl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-ethanone

IUPAC name

2-{[11-(pyrrolidin-1-yl)-12-thia-346810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24710-pentaen-5-yl]sulfanyl}-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(CSc1nnc2n1cnc1c2sc(N2CCCC2)n1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H21N7OS2/c29-16(27-10-7-14-5-1-2-6-15(14)11-27)12-30-21-25-24-19-17-18(22-13-28(19)21)23-20(31-17)26-8-3-4-9-26/h1-2,5-6,13H,3-4,7-12H2

InChI Key

QINOVHSLGJVJHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27532252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.49

Polar Surface Area

61.799

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M142-0111 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M142-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M142-0111?
Check Price and Availability of M142-0111, 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 M142-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M142-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M142-0111
  • 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 M142-0111 available by request