6940-0182 Screening compound: N-[2-(dimethylamino)ethyl]-N-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

6940-0182 Screening compound: N-[2-(dimethylamino)ethyl]-N-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine
6940-0182 Screening compound: N-[2-(dimethylamino)ethyl]-N-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6940-0182
N-[2-(dimethylamino)ethyl]-N-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

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

6940-0182

Molecular Formula

C20H27N5S (C20 H27 N5 S)

Compound Name

N-[2-(dimethylamino)ethyl]-N-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

IUPAC name

N-[2-(dimethylamino)ethyl]-8-propyl-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCCc1c(CCCC2)c2c(c2ncnc(NCCN(C)C)c2s2)c2n1

InChI

InChI=1S/C20H27N5S/c1-4-7-15-13-8-5-6-9-14(13)16-17-18(26-20(16)24-15)19(23-12-22-17)21-10-11-25(2)3/h12H,4-11H2,1-3H3,(H,21,22,23)

InChI Key

RIWLQOXLEVQYAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02238979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-4.73

Polar Surface Area

46.294

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

6940-0182 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • Epigenetic
Targets:
  • Kinases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 6940-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0182?
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What is the minimum amount of 6940-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0182
  • 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 6940-0182 available by request