C380-0601 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

C380-0601 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
C380-0601 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0601
10-(2-chloro-6-fluorobenzyl)-8-(1-pyrrolidinylcarbonyl)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

C380-0601

Molecular Formula

C25H20ClFN2O2S (C25 H20 ClFN2 O2 S)

Compound Name

10-(2-chloro-6-fluorobenzyl)-8-(1-pyrrolidinylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-[(2-chloro-6-fluorophenyl)methyl]-6-(pyrrolidine-1-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)N1CCCC1

InChI

InChI=1S/C25H20ClFN2O2S/c26-19-7-5-8-20(27)18(19)15-29-21-14-16(24(30)28-12-3-4-13-28)10-11-23(21)32-22-9-2-1-6-17(22)25(29)31/h1-2,5-11,14H,3-4,12-13,15H2

InChI Key

YUWIJOWMWQRRSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.363

Distribution Coefficient, logD

5.363

Water Solubility, LogSw

-5.79

Polar Surface Area

32.415

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C380-0601 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C380-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0601?
Check Price and Availability of C380-0601, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C380-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0601
  • 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 C380-0601 available by request