C380-0602 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

C380-0602 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
C380-0602 Screening compound: 10-(2-chloro-6-fluorobenzyl)-8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C380-0602
10-(2-chloro-6-fluorobenzyl)-8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]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

C380-0602

Molecular Formula

C30H22ClFN2O2S (C30 H22 ClFN2 O2 S)

Compound Name

10-(2-chloro-6-fluorobenzyl)-8-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-[(2-chloro-6-fluorophenyl)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

O=C(c(cc1)cc(N2Cc(c(F)ccc3)c3Cl)c1Sc(cccc1)c1C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C30H22ClFN2O2S/c31-24-9-5-10-25(32)23(24)18-34-26-16-20(29(35)33-15-14-19-6-1-2-7-21(19)17-33)12-13-28(26)37-27-11-4-3-8-22(27)30(34)36/h1-13,16H,14-15,17-18H2

InChI Key

NMJKAMHQZKFZCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.03

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

6.520

Distribution Coefficient, logD

6.520

Water Solubility, LogSw

-6.25

Polar Surface Area

31.711

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C380-0602 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C380-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C380-0602?
Check Price and Availability of C380-0602, 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 C380-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C380-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C380-0602
  • 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 C380-0602 available by request