C795-0450 Screening compound: N~1~-(2-chlorobenzyl)-2-[11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

C795-0450 Screening compound: N~1~-(2-chlorobenzyl)-2-[11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
C795-0450 Screening compound: N~1~-(2-chlorobenzyl)-2-[11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0450
N~1~-(2-chlorobenzyl)-2-[11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

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

C795-0450

Molecular Formula

C22H17ClN2O2S (C22 H17 ClN2 O2 S)

Compound Name

N~1~-(2-chlorobenzyl)-2-[11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-9-yl}acetamide

SMILES

O=C(CN(c(cccc1)c1Sc1c2cccc1)C2=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C22H17ClN2O2S/c23-17-9-3-1-7-15(17)13-24-21(26)14-25-18-10-4-6-12-20(18)28-19-11-5-2-8-16(19)22(25)27/h1-12H,13-14H2,(H,24,26)

InChI Key

FNWCPNMLWAXCAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

5.015

Water Solubility, LogSw

-5.01

Polar Surface Area

39.872

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C795-0450 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C795-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0450?
Check Price and Availability of C795-0450, 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 C795-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0450
  • 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 C795-0450 available by request