C367-0001 Screening compound: 12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid

C367-0001 Screening compound: 12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid
C367-0001 Screening compound: 12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0001
12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid

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

C367-0001

Molecular Formula

C15H12N2O3S (C15 H12 N2 O3 S)

Compound Name

12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxylic acid

IUPAC name

9-oxo-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaene-4-carboxylic acid

SMILES

OC(C1=CC=CN2C1=Nc(sc1c3CCCC1)c3C2=O)=O

InChI

InChI=1S/C15H12N2O3S/c18-14-11-8-4-1-2-6-10(8)21-13(11)16-12-9(15(19)20)5-3-7-17(12)14/h3,5,7H,1-2,4,6H2,(H,19,20)

InChI Key

IBCWGLBDHXOJEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.518

Distribution Coefficient, logD

-3.413

Water Solubility, LogSw

-1.66

Polar Surface Area

52.736

Acid Dissociation Constant (pKa)

2.47

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C367-0001 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C367-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0001?
Check Price and Availability of C367-0001, 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 C367-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0001
  • 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 C367-0001 available by request