8016-9459 Screening compound: N-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)-N-phenethylamine

8016-9459 Screening compound: N-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)-N-phenethylamine
8016-9459 Screening compound: N-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)-N-phenethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9459
N-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-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

8016-9459

Molecular Formula

C24H25N5OS (C24 H25 N5 OS)

Compound Name

N-(4-morpholino-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)-N-phenethylamine

IUPAC name

7-(morpholin-4-yl)-N-(2-phenylethyl)-10-thia-81315-triazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)2(6)711(16)1214-hexaen-12-amine

SMILES

C(CNc1c2sc3nc(N4CCOCC4)c(CCC4)c4c3c2ncn1)c1ccccc1

InChI

InChI=1S/C24H25N5OS/c1-2-5-16(6-3-1)9-10-25-22-21-20(26-15-27-22)19-17-7-4-8-18(17)23(28-24(19)31-21)29-11-13-30-14-12-29/h1-3,5-6,15H,4,7-14H2,(H,25,26,27)

InChI Key

XSUVTRNDYYSGMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03007526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

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

5.122

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.49

Polar Surface Area

52.551

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8016-9459 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)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-9459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9459?
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What is the minimum amount of 8016-9459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9459
  • 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 8016-9459 available by request