C340-0450 Screening compound: 3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]thiourea

C340-0450 Screening compound: 3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]thiourea
C340-0450 Screening compound: 3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound C340-0450
3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]thiourea

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

C340-0450

Molecular Formula

C26H31N5OS (C26 H31 N5 OS)

Compound Name

3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]thiourea

IUPAC name

3-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-1-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]thiourea

SMILES

Cc1c(cc(cc2)NC(NCCN(CC3)Cc4c3cccc4)=S)c2nc(N2CCOCC2)c1

InChI

InChI=1S/C26H31N5OS/c1-19-16-25(31-12-14-32-15-13-31)29-24-7-6-22(17-23(19)24)28-26(33)27-9-11-30-10-8-20-4-2-3-5-21(20)18-30/h2-7,16-17H,8-15,18H2,1H3,(H2,27,28,33)

InChI Key

ODLBTMVNHQOFKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-4.50

Polar Surface Area

43.024

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C340-0450 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C340-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C340-0450?
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What is the minimum amount of C340-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C340-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C340-0450
  • 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 C340-0450 available by request