C700-0364 Screening compound: 10-(3-chlorobenzyl)-N~8~-(2,2-diethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

C700-0364 Screening compound: 10-(3-chlorobenzyl)-N~8~-(2,2-diethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
C700-0364 Screening compound: 10-(3-chlorobenzyl)-N~8~-(2,2-diethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0364
10-(3-chlorobenzyl)-N~8~-(2,2-diethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

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

C700-0364

Molecular Formula

C27H27ClN2O5S (C27 H27 ClN2 O5 S)

Compound Name

10-(3-chlorobenzyl)-N~8~-(2,2-diethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-(22-diethoxyethyl)-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CCOC(CNC(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)=O)OCC

InChI

InChI=1S/C27H29ClN2O5S/c1-3-34-25(35-4-2)16-29-26(31)19-12-13-24-22(15-19)30(17-18-8-7-9-20(28)14-18)27(32)21-10-5-6-11-23(21)36(24)33/h5-15,25H,3-4,16-17,36H2,1-2H3,(H,29,31)

InChI Key

JUOYSZUQDXPZRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.04

Polar Surface Area

70.124

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C700-0364 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C700-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0364?
Check Price and Availability of C700-0364, 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 C700-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0364
  • 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 C700-0364 available by request