3683-0496 Screening compound: N,N-dibutyl-N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine

3683-0496 Screening compound: N,N-dibutyl-N-(5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amine
3683-0496 Screening compound: N,N-dibutyl-N-(5-morpholino-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 3683-0496
N,N-dibutyl-N-(5-morpholino-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

3683-0496

Molecular Formula

C25H35N5OS (C25 H35 N5 OS)

Compound Name

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

IUPAC name

NN-dibutyl-8-(morpholin-4-yl)-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CCCCN(CCCC)c1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C25H35N5OS/c1-3-5-11-29(12-6-4-2)24-22-21(26-17-27-24)20-18-9-7-8-10-19(18)23(28-25(20)32-22)30-13-15-31-16-14-30/h17H,3-16H2,1-2H3

InChI Key

RKSMHVNFLXCXMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.222

Distribution Coefficient, logD

7.193

Water Solubility, LogSw

-5.93

Polar Surface Area

44.645

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

References: we are preparing a list of scientific research reports with 3683-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0496?
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What is the minimum amount of 3683-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0496
  • 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 3683-0496 available by request