C380-0609 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

C380-0609 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
C380-0609 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0609
10-(2-chloro-6-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)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

C380-0609

Molecular Formula

C28H24ClFN2O4S (C28 H24 ClFN2 O4 S)

Compound Name

10-(2-chloro-6-fluorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-[(2-chloro-6-fluorophenyl)methyl]-6-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-10-one

SMILES

O=C(c(cc1)cc(N2Cc(c(F)ccc3)c3Cl)c1Sc(cccc1)c1C2=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C28H24ClFN2O4S/c29-21-5-3-6-22(30)20(21)17-32-23-16-18(26(33)31-12-10-28(11-13-31)35-14-15-36-28)8-9-25(23)37-24-7-2-1-4-19(24)27(32)34/h1-9,16H,10-15,17H2

InChI Key

PWVSBKCHWVWBPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.713

Distribution Coefficient, logD

4.713

Water Solubility, LogSw

-4.87

Polar Surface Area

46.486

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C380-0609 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C380-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0609?
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What is the minimum amount of C380-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0609
  • 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 C380-0609 available by request