3505-6154 Screening compound: 6-(3-methoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

3505-6154 Screening compound: 6-(3-methoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one
3505-6154 Screening compound: 6-(3-methoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3505-6154
6-(3-methoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

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

3505-6154

Molecular Formula

C23H17NO2S (C23 H17 NO2 S)

Compound Name

6-(3-methoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

IUPAC name

n/a

SMILES

COc1cccc(C2Sc(cccc3)c3NC(c3c4cccc3)=C2C4=O)c1

InChI

InChI=1S/C23H17NO2S/c1-26-15-8-6-7-14(13-15)23-20-21(16-9-2-3-10-17(16)22(20)25)24-18-11-4-5-12-19(18)27-23/h2-13,23-24H,1H3/t23-/m1/s1

InChI Key

OOYALMXMMJZBTE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01975575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.260

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.14

Polar Surface Area

32.296

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

3505-6154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3505-6154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3505-6154?
Check Price and Availability of 3505-6154, 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 3505-6154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3505-6154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3505-6154
  • 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 3505-6154 available by request