C380-0745 Screening compound: N~8~-(4-chlorobenzyl)-10-(4-ethoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

C380-0745 Screening compound: N~8~-(4-chlorobenzyl)-10-(4-ethoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
C380-0745 Screening compound: N~8~-(4-chlorobenzyl)-10-(4-ethoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0745
N~8~-(4-chlorobenzyl)-10-(4-ethoxybenzyl)-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

C380-0745

Molecular Formula

C30H25ClN2O3S (C30 H25 ClN2 O3 S)

Compound Name

N~8~-(4-chlorobenzyl)-10-(4-ethoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCOc1ccc(CN(c(cc(cc2)C(NCc(cc3)ccc3Cl)=O)c2Sc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C30H25ClN2O3S/c1-2-36-24-14-9-21(10-15-24)19-33-26-17-22(29(34)32-18-20-7-12-23(31)13-8-20)11-16-28(26)37-27-6-4-3-5-25(27)30(33)35/h3-17H,2,18-19H2,1H3,(H,32,34)

InChI Key

LUPWHGBWBJCEBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.808

Distribution Coefficient, logD

6.808

Water Solubility, LogSw

-6.11

Polar Surface Area

46.938

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C380-0745 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 C380-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0745?
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What is the minimum amount of C380-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0745
  • 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 C380-0745 available by request