6940-0242 Screening compound: N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-[3-(dimethylamino)propyl]amine

6940-0242 Screening compound: N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-[3-(dimethylamino)propyl]amine
6940-0242 Screening compound: N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-[3-(dimethylamino)propyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6940-0242
N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-[3-(dimethylamino)propyl]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

6940-0242

Molecular Formula

C22H31N5S (C22 H31 N5 S)

Compound Name

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

IUPAC name

8-butyl-N-[3-(dimethylamino)propyl]-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCCCc1c(CCCC2)c2c(c2ncnc(NCCCN(C)C)c2s2)c2n1

InChI

InChI=1S/C22H31N5S/c1-4-5-11-17-15-9-6-7-10-16(15)18-19-20(28-22(18)26-17)21(25-14-24-19)23-12-8-13-27(2)3/h14H,4-13H2,1-3H3,(H,23,24,25)

InChI Key

ONKNSLCOWGNOLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.536

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-5.58

Polar Surface Area

46.294

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

6940-0242 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6940-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0242?
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What is the minimum amount of 6940-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0242
  • 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 6940-0242 available by request