C712-1289 Screening compound: 2-{4H-thieno[3,2-c]chromene-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

C712-1289 Screening compound: 2-{4H-thieno[3,2-c]chromene-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
C712-1289 Screening compound: 2-{4H-thieno[3,2-c]chromene-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1289
2-{4H-thieno[3,2-c]chromene-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

C712-1289

Molecular Formula

C21H17NO2S (C21 H17 NO2 S)

Compound Name

2-{4H-thieno[3,2-c]chromene-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{4H-thieno[32-c]chromene-2-carbonyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1cc(COc2c-3cccc2)c3s1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C21H17NO2S/c23-21(22-10-9-14-5-1-2-6-15(14)12-22)19-11-16-13-24-18-8-4-3-7-17(18)20(16)25-19/h1-8,11H,9-10,12-13H2

InChI Key

HVLHDWSOBBCEQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.40

Polar Surface Area

25.665

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C712-1289 in Drug Discovery

Included in Screening Libraries

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C712-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1289?
Check Price and Availability of C712-1289, 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 C712-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1289
  • 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 C712-1289 available by request