C530-1068 Screening compound: 10-(2-fluorobenzyl)-8-[(4-phenylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

C530-1068 Screening compound: 10-(2-fluorobenzyl)-8-[(4-phenylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
C530-1068 Screening compound: 10-(2-fluorobenzyl)-8-[(4-phenylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-1068
10-(2-fluorobenzyl)-8-[(4-phenylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

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

C530-1068

Molecular Formula

C31H26FN3O4S (C31 H26 FN3 O4 S)

Compound Name

10-(2-fluorobenzyl)-8-[(4-phenylpiperazino)carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

IUPAC name

9-[(2-fluorophenyl)methyl]-6-(4-phenylpiperazine-1-carbonyl)-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

O=C(c(cc1)cc(N(Cc(cccc2)c2F)C(c2c3cccc2)=O)c1S3(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C31H26FN3O4S/c32-26-12-6-4-8-23(26)21-35-27-20-22(30(36)34-18-16-33(17-19-34)24-9-2-1-3-10-24)14-15-29(27)40(38,39)28-13-7-5-11-25(28)31(35)37/h1-15,20H,16-19,21H2

InChI Key

LHSLTBXQAKJOKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.42

Polar Surface Area

64.289

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

C530-1068 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C530-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1068?
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What is the minimum amount of C530-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1068
  • 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 C530-1068 available by request