5750-2985 Screening compound: 6-(4-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

5750-2985 Screening compound: 6-(4-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol
5750-2985 Screening compound: 6-(4-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2985
6-(4-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

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

5750-2985

Molecular Formula

C23H17NO2S (C23 H17 NO2 S)

Compound Name

6-(4-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

IUPAC name

10-(4-methoxyphenyl)-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-13(8)461113(18)1416-octaen-12-ol

SMILES

COc1ccc(C2Sc(cccc3)c3N=C3c(cccc4)c4C(O)=C23)cc1

InChI

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

InChI Key

HXUXYRJTNVKJTO-HSZRJFAPSA-N

MDL Number (MFCD)

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

4.627

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-4.38

Polar Surface Area

30.450

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 5750-2985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2985?
Check Price and Availability of 5750-2985, 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 5750-2985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2985
  • 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 5750-2985 available by request