C380-0809 Screening compound: 8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-10-(4-ethoxybenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

C380-0809 Screening compound: 8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-10-(4-ethoxybenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
C380-0809 Screening compound: 8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-10-(4-ethoxybenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0809
8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-10-(4-ethoxybenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

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

C380-0809

Molecular Formula

C32H28N2O3S (C32 H28 N2 O3 S)

Compound Name

8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-10-(4-ethoxybenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-[(4-ethoxyphenyl)methyl]-6-(1234-tetrahydroisoquinoline-2-carbonyl)-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-one

SMILES

CCOc1ccc(CN(c(cc(cc2)C(N(CC3)Cc4c3cccc4)=O)c2Sc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C32H28N2O3S/c1-2-37-26-14-11-22(12-15-26)20-34-28-19-24(31(35)33-18-17-23-7-3-4-8-25(23)21-33)13-16-30(28)38-29-10-6-5-9-27(29)32(34)36/h3-16,19H,2,17-18,20-21H2,1H3

InChI Key

UYSOFMRIWSLPBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.414

Distribution Coefficient, logD

6.414

Water Solubility, LogSw

-5.57

Polar Surface Area

38.834

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C380-0809 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 C380-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0809?
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What is the minimum amount of C380-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0809
  • 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 C380-0809 available by request