5921-0210 Screening compound: N-[5-(2-furyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]-N-tetrahydro-2-furanylmethylamine

5921-0210 Screening compound: N-[5-(2-furyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]-N-tetrahydro-2-furanylmethylamine
5921-0210 Screening compound: N-[5-(2-furyl)-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 5921-0210
N-[5-(2-furyl)-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

5921-0210

Molecular Formula

C22H22N4O2S (C22 H22 N4 O2 S)

Compound Name

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

IUPAC name

8-(furan-2-yl)-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

C(C1OCCC1)Nc1c2sc3nc(-c4ccco4)c(CCCC4)c4c3c2ncn1

InChI

InChI=1S/C22H22N4O2S/c1-2-7-15-14(6-1)17-19-20(29-22(17)26-18(15)16-8-4-10-28-16)21(25-12-24-19)23-11-13-5-3-9-27-13/h4,8,10,12-13H,1-3,5-7,9,11H2,(H,23,24,25)/t13-/m1/s1

InChI Key

HMSPLHJLDJASAW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01950580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.91

Polar Surface Area

58.781

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

5921-0210 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

C-Met Library (15277 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 5921-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0210?
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What is the minimum amount of 5921-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0210
  • 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 5921-0210 available by request