C380-0754 Screening compound: 10-(4-ethoxybenzyl)-N~8~-(4-methoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

C380-0754 Screening compound: 10-(4-ethoxybenzyl)-N~8~-(4-methoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
C380-0754 Screening compound: 10-(4-ethoxybenzyl)-N~8~-(4-methoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0754
10-(4-ethoxybenzyl)-N~8~-(4-methoxybenzyl)-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

C380-0754

Molecular Formula

C31H28N2O4S (C31 H28 N2 O4 S)

Compound Name

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

IUPAC name

9-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)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)ccc3OC)=O)c2Sc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C31H28N2O4S/c1-3-37-25-15-10-22(11-16-25)20-33-27-18-23(30(34)32-19-21-8-13-24(36-2)14-9-21)12-17-29(27)38-28-7-5-4-6-26(28)31(33)35/h4-18H,3,19-20H2,1-2H3,(H,32,34)

InChI Key

UKWQZDLBFQIUQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

6.196

Water Solubility, LogSw

-5.45

Polar Surface Area

54.481

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

C380-0754 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 C380-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0754?
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What is the minimum amount of C380-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0754
  • 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 C380-0754 available by request