C380-0567 Screening compound: 10-(2-chloro-6-fluorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

C380-0567 Screening compound: 10-(2-chloro-6-fluorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
C380-0567 Screening compound: 10-(2-chloro-6-fluorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0567
10-(2-chloro-6-fluorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[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

C380-0567

Molecular Formula

C24H20ClFN2O3S (C24 H20 ClFN2 O3 S)

Compound Name

10-(2-chloro-6-fluorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

COCCNC(c(cc1)cc(N2Cc(c(F)ccc3)c3Cl)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C24H20ClFN2O3S/c1-31-12-11-27-23(29)15-9-10-22-20(13-15)28(14-17-18(25)6-4-7-19(17)26)24(30)16-5-2-3-8-21(16)32-22/h2-10,13H,11-12,14H2,1H3,(H,27,29)

InChI Key

SDWKBPXGTGXWKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.82

Polar Surface Area

48.269

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C380-0567 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C380-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0567?
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What is the minimum amount of C380-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0567
  • 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 C380-0567 available by request