C529-0828 Screening compound: 10-(4-fluorobenzyl)-8-{[4-(4-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

C529-0828 Screening compound: 10-(4-fluorobenzyl)-8-{[4-(4-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
C529-0828 Screening compound: 10-(4-fluorobenzyl)-8-{[4-(4-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C529-0828
10-(4-fluorobenzyl)-8-{[4-(4-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

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

C529-0828

Molecular Formula

C32H28FN3O4S (C32 H28 FN3 O4 S)

Compound Name

10-(4-fluorobenzyl)-8-{[4-(4-methoxyphenyl)piperazino]carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione

IUPAC name

9-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-210-dione

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c(cc1)cc(N(Cc(cc2)ccc2F)C(c2c3cccc2)=O)c1S3=O)=O

InChI

InChI=1S/C32H30FN3O4S/c1-40-26-13-11-25(12-14-26)34-16-18-35(19-17-34)31(37)23-8-15-30-28(20-23)36(21-22-6-9-24(33)10-7-22)32(38)27-4-2-3-5-29(27)41(30)39/h2-15,20H,16-19,21,41H2,1H3

InChI Key

HCARBAZZHURYAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.24

Polar Surface Area

58.237

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C529-0828 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C529-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C529-0828?
Check Price and Availability of C529-0828, 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 C529-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C529-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C529-0828
  • 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 C529-0828 available by request