5921-0018 Screening compound: N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

5921-0018 Screening compound: N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine
5921-0018 Screening compound: N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5921-0018
N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

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

5921-0018

Molecular Formula

C28H26N4OS (C28 H26 N4 OS)

Compound Name

N-(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

IUPAC name

44-dimethyl-8-phenyl-N-(2-phenylethyl)-5-oxa-11-thia-91416-triazatetracyclo[8.7.0.0^{27}.0^{1217}]heptadeca-1(10)2(7)812(17)1315-hexaen-13-amine

SMILES

CC1(C)OCc2c(-c3ccccc3)nc3sc4c(NCCc5ccccc5)ncnc4c3c2C1

InChI

InChI=1S/C28H26N4OS/c1-28(2)15-20-21(16-33-28)23(19-11-7-4-8-12-19)32-27-22(20)24-25(34-27)26(31-17-30-24)29-14-13-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,29,30,31)

InChI Key

HSFXCGVTPOJFNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01876392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.579

Water Solubility, LogSw

-6.27

Polar Surface Area

49.086

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5921-0018 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 5921-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5921-0018?
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What is the minimum amount of 5921-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5921-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5921-0018
  • 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 5921-0018 available by request