C380-0819 Screening compound: 10-(4-ethoxybenzyl)-8-[(4-ethylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

C380-0819 Screening compound: 10-(4-ethoxybenzyl)-8-[(4-ethylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
C380-0819 Screening compound: 10-(4-ethoxybenzyl)-8-[(4-ethylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0819
10-(4-ethoxybenzyl)-8-[(4-ethylpiperazino)carbonyl]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

C380-0819

Molecular Formula

C29H31N3O3S (C29 H31 N3 O3 S)

Compound Name

10-(4-ethoxybenzyl)-8-[(4-ethylpiperazino)carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

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

SMILES

CCN(CC1)CCN1C(c(cc1)cc(N2Cc(cc3)ccc3OCC)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C29H31N3O3S/c1-3-30-15-17-31(18-16-30)28(33)22-11-14-27-25(19-22)32(20-21-9-12-23(13-10-21)35-4-2)29(34)24-7-5-6-8-26(24)36-27/h5-14,19H,3-4,15-18,20H2,1-2H3

InChI Key

UZFBSOFIWPLVQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.26

Polar Surface Area

42.709

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

C380-0819 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 C380-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0819?
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What is the minimum amount of C380-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0819
  • 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 C380-0819 available by request