C472-0148 Screening compound: 6-(2,4-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

C472-0148 Screening compound: 6-(2,4-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol
C472-0148 Screening compound: 6-(2,4-dichlorophenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C472-0148
6-(2,4-dichlorophenyl)-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

C472-0148

Molecular Formula

C22H13Cl2NOS (C22 H13 Cl2 NOS)

Compound Name

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

IUPAC name

10-(24-dichlorophenyl)-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-13(8)4611131517-octaen-12-ol

SMILES

OC(c1c2cccc1)=C1C2=Nc(cccc2)c2SC1c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C22H13Cl2NOS/c23-12-9-10-15(16(24)11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)25-17-7-3-4-8-18(17)27-22/h1-11,22,26H/t22-/m1/s1

InChI Key

XWRMPKFONJFXAD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04081159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.016

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-5.90

Polar Surface Area

22.906

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

C472-0148 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 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
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C472-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C472-0148?
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What is the minimum amount of C472-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C472-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C472-0148
  • 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 C472-0148 available by request