C472-0105 Screening compound: 4-(7-hydroxy-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 10H-phenothiazine-10-carboxylate

C472-0105 Screening compound: 4-(7-hydroxy-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 10H-phenothiazine-10-carboxylate
C472-0105 Screening compound: 4-(7-hydroxy-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 10H-phenothiazine-10-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C472-0105
4-(7-hydroxy-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 10H-phenothiazine-10-carboxylate

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

C472-0105

Molecular Formula

C35H22N2O3S2 (C35 H22 N2 O3 S2)

Compound Name

4-(7-hydroxy-6H-indeno[2,1-c][1,5]benzothiazepin-6-yl)phenyl 10H-phenothiazine-10-carboxylate

IUPAC name

4-{12-hydroxy-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-13(8)4611131517-octaen-10-yl}phenyl 10H-phenothiazine-10-carboxylate

SMILES

OC(c1c2cccc1)=C1C2=Nc(cccc2)c2SC1c(cc1)ccc1OC(N1c(cccc2)c2Sc2c1cccc2)=O

InChI

InChI=1S/C35H22N2O3S2/c38-33-24-10-2-1-9-23(24)32-31(33)34(42-28-14-6-3-11-25(28)36-32)21-17-19-22(20-18-21)40-35(39)37-26-12-4-7-15-29(26)41-30-16-8-5-13-27(30)37/h1-20,34,38H/t34-/m1/s1

InChI Key

CWWAYTAIQVAGMC-UUWRZZSWSA-N

MDL Number (MFCD)

MFCD04076988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

582.7

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.539

Distribution Coefficient, logD

6.217

Water Solubility, LogSw

-6.00

Polar Surface Area

42.486

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

2.90

C472-0105 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C472-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C472-0105?
Check Price and Availability of C472-0105, 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 C472-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C472-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C472-0105
  • 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 C472-0105 available by request