6940-0238 Screening compound: N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-tetrahydro-2-furanylmethylamine

6940-0238 Screening compound: N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-tetrahydro-2-furanylmethylamine
6940-0238 Screening compound: N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-tetrahydro-2-furanylmethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6940-0238
N-(5-butyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)-N-tetrahydro-2-furanylmethylamine

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

6940-0238

Molecular Formula

C22H28N4OS (C22 H28 N4 OS)

Compound Name

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

IUPAC name

8-butyl-N-[(oxolan-2-yl)methyl]-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(NCC3OCCC3)c2s2)c2n1

InChI

InChI=1S/C22H28N4OS/c1-2-3-10-17-15-8-4-5-9-16(15)18-19-20(28-22(18)26-17)21(25-13-24-19)23-12-14-7-6-11-27-14/h13-14H,2-12H2,1H3,(H,23,24,25)/t14-/m1/s1

InChI Key

FPRNBMWSHPQXSU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02239587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.56

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

5.626

Distribution Coefficient, logD

5.624

Water Solubility, LogSw

-5.57

Polar Surface Area

50.969

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

6940-0238 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6940-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0238?
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What is the minimum amount of 6940-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0238
  • 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 6940-0238 available by request