2512-1740 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine

2512-1740 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine
2512-1740 Screening compound: 2-(3,4-dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2512-1740
2-(3,4-dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine

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

2512-1740

Molecular Formula

C21H19NO2S2 (C21 H19 NO2 S2)

Compound Name

2-(3,4-dimethoxyphenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine

IUPAC name

2-(34-dimethoxyphenyl)-4-(thiophen-2-yl)-23-dihydro-15-benzothiazepine

SMILES

COc(ccc(C(C1)Sc(cccc2)c2N=C1c1cccs1)c1)c1OC

InChI

InChI=1S/C21H19NO2S2/c1-23-17-10-9-14(12-18(17)24-2)21-13-16(19-8-5-11-25-19)22-15-6-3-4-7-20(15)26-21/h3-12,21H,13H2,1-2H3/t21-/m0/s1

InChI Key

JFOYDBBTDMZTDT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01540024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.975

Water Solubility, LogSw

-4.69

Polar Surface Area

25.138

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

2512-1740 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Nervous system
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2512-1740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2512-1740?
Check Price and Availability of 2512-1740, 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 2512-1740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2512-1740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2512-1740
  • 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 2512-1740 available by request