C472-0122 Screening compound: 6-(4-phenethylphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

C472-0122 Screening compound: 6-(4-phenethylphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol
C472-0122 Screening compound: 6-(4-phenethylphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C472-0122
6-(4-phenethylphenyl)-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

C472-0122

Molecular Formula

C30H23NOS (C30 H23 NOS)

Compound Name

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

IUPAC name

10-[4-(2-phenylethyl)phenyl]-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-13(8)4611131517-octaen-12-ol

SMILES

OC(c1c2cccc1)=C1C2=Nc(cccc2)c2SC1c1ccc(CCc2ccccc2)cc1

InChI

InChI=1S/C30H23NOS/c32-29-24-11-5-4-10-23(24)28-27(29)30(33-26-13-7-6-12-25(26)31-28)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-13,16-19,30,32H,14-15H2/t30-/m1/s1

InChI Key

HZWBKNCFMBQHAL-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD14760444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.930

Distribution Coefficient, logD

5.609

Water Solubility, LogSw

-6.19

Polar Surface Area

22.635

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

C472-0122 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

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

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C472-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C472-0122?
Check Price and Availability of C472-0122, 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 C472-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C472-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C472-0122
  • 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 C472-0122 available by request