C472-0046 Screening compound: 6-(5-bromo-2-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol

C472-0046 Screening compound: 6-(5-bromo-2-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol
C472-0046 Screening compound: 6-(5-bromo-2-methoxyphenyl)-6H-indeno[2,1-c][1,5]benzothiazepin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C472-0046
6-(5-bromo-2-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

C472-0046

Molecular Formula

C23H16BrNO2S (C23 H16 BrNO2 S)

Compound Name

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

IUPAC name

10-(5-bromo-2-methoxyphenyl)-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-13(8)4611131517-octaen-12-ol

SMILES

COc(cc1)c(C2Sc(cccc3)c3N=C3c(cccc4)c4C(O)=C23)cc1Br

InChI

InChI=1S/C23H16BrNO2S/c1-27-18-11-10-13(24)12-16(18)23-20-21(14-6-2-3-7-15(14)22(20)26)25-17-8-4-5-9-19(17)28-23/h2-12,23,26H,1H3/t23-/m1/s1

InChI Key

YGTYJJWVABBPMV-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14760430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.36

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

5.505

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-5.36

Polar Surface Area

30.537

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

C472-0046 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C472-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C472-0046?
Check Price and Availability of C472-0046, 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 C472-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C472-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C472-0046
  • 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 C472-0046 available by request