C367-0003 Screening compound: N~7~-[2-(2-naphthylamino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

C367-0003 Screening compound: N~7~-[2-(2-naphthylamino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
C367-0003 Screening compound: N~7~-[2-(2-naphthylamino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0003
N~7~-[2-(2-naphthylamino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

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

C367-0003

Molecular Formula

C27H24N4O2S (C27 H24 N4 O2 S)

Compound Name

N~7~-[2-(2-naphthylamino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

IUPAC name

N-{2-[(naphthalen-2-yl)amino]ethyl}-9-oxo-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaene-4-carboxamide

SMILES

O=C(C1=CC=CN2C1=Nc(sc1c3CCCC1)c3C2=O)NCCNc1cc2ccccc2cc1

InChI

InChI=1S/C27H24N4O2S/c32-25(29-14-13-28-19-12-11-17-6-1-2-7-18(17)16-19)21-9-5-15-31-24(21)30-26-23(27(31)33)20-8-3-4-10-22(20)34-26/h1-2,5-7,9,11-12,15-16,28H,3-4,8,10,13-14H2,(H,29,32)

InChI Key

NIFMYKKTQWHGGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.39

Polar Surface Area

58.659

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C367-0003 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C367-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0003?
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What is the minimum amount of C367-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0003
  • 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 C367-0003 available by request