C380-0924 Screening compound: N~8~-(4-methylcyclohexyl)-11-oxo-10-[4-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

C380-0924 Screening compound: N~8~-(4-methylcyclohexyl)-11-oxo-10-[4-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
C380-0924 Screening compound: N~8~-(4-methylcyclohexyl)-11-oxo-10-[4-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0924
N~8~-(4-methylcyclohexyl)-11-oxo-10-[4-(trifluoromethyl)benzyl]-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

C380-0924

Molecular Formula

C29H27F3N2O2S (C29 H27 F3 N2 O2 S)

Compound Name

N~8~-(4-methylcyclohexyl)-11-oxo-10-[4-(trifluoromethyl)benzyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-(4-methylcyclohexyl)-10-oxo-9-{[4-(trifluoromethyl)phenyl]methyl}-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CC(CC1)CCC1NC(c(cc1)cc(N2Cc3ccc(C(F)(F)F)cc3)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C29H27F3N2O2S/c1-18-6-13-22(14-7-18)33-27(35)20-10-15-26-24(16-20)34(28(36)23-4-2-3-5-25(23)37-26)17-19-8-11-21(12-9-19)29(30,31)32/h2-5,8-12,15-16,18,22H,6-7,13-14,17H2,1H3,(H,33,35)

InChI Key

ZIMHNVRQDNYZIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.858

Distribution Coefficient, logD

7.858

Water Solubility, LogSw

-5.66

Polar Surface Area

39.539

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C380-0924 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C380-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0924?
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What is the minimum amount of C380-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0924
  • 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 C380-0924 available by request