7245-0226 Screening compound: N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-phenethylamine

7245-0226 Screening compound: N-[2,2-dimethyl-5-(1-pyrrolidinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N-phenethylamine
7245-0226 Screening compound: N-[2,2-dimethyl-5-(1-pyrrolidinyl)-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 7245-0226
N-[2,2-dimethyl-5-(1-pyrrolidinyl)-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

7245-0226

Molecular Formula

C26H29N5OS (C26 H29 N5 OS)

Compound Name

N-[2,2-dimethyl-5-(1-pyrrolidinyl)-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-(pyrrolidin-1-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

CC1(C)OCc2c(N3CCCC3)nc3sc4c(NCCc5ccccc5)ncnc4c3c2C1

InChI

InChI=1S/C26H29N5OS/c1-26(2)14-18-19(15-32-26)24(31-12-6-7-13-31)30-25-20(18)21-22(33-25)23(29-16-28-21)27-11-10-17-8-4-3-5-9-17/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H,27,28,29)

InChI Key

DUOHFSHXIITWIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.109

Distribution Coefficient, logD

6.085

Water Solubility, LogSw

-5.87

Polar Surface Area

52.339

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

7245-0226 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7245-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7245-0226?
Check Price and Availability of 7245-0226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7245-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7245-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7245-0226
  • 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 7245-0226 available by request