6940-0078 Screening compound: N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine

6940-0078 Screening compound: N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-phenethylamine
6940-0078 Screening compound: N-(5-isopropyl-2,2-dimethyl-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 6940-0078
N-(5-isopropyl-2,2-dimethyl-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

6940-0078

Molecular Formula

C25H28N4OS (C25 H28 N4 OS)

Compound Name

N-(5-isopropyl-2,2-dimethyl-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-N-(2-phenylethyl)-8-(propan-2-yl)-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

CC(C)c1c(COC(C)(C)C2)c2c(c2ncnc(NCCc3ccccc3)c2s2)c2n1

InChI

InChI=1S/C25H28N4OS/c1-15(2)20-18-13-30-25(3,4)12-17(18)19-21-22(31-24(19)29-20)23(28-14-27-21)26-11-10-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3,(H,26,27,28)

InChI Key

WKXNRLSTYJVJPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.59

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

6.575

Distribution Coefficient, logD

6.574

Water Solubility, LogSw

-6.21

Polar Surface Area

49.358

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6940-0078 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6940-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6940-0078?
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What is the minimum amount of 6940-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6940-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6940-0078
  • 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 6940-0078 available by request