C530-1203 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-(4-fluorobenzyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione

C530-1203 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-(4-fluorobenzyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
C530-1203 Screening compound: 8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-(4-fluorobenzyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C530-1203
8-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}-10-(4-fluorobenzyl)-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

C530-1203

Molecular Formula

C33H30FN3O4S (C33 H30 FN3 O4 S)

Compound Name

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

IUPAC name

6-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-9-[(4-fluorophenyl)methyl]-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-2210-trione

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)cc(N(Cc(cc3)ccc3F)C(c3c4cccc3)=O)c2S4(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C33H30FN3O4S/c1-22-7-8-23(2)28(19-22)35-15-17-36(18-16-35)32(38)25-11-14-31-29(20-25)37(21-24-9-12-26(34)13-10-24)33(39)27-5-3-4-6-30(27)42(31,40)41/h3-14,19-20H,15-18,21H2,1-2H3

InChI Key

IMIVDBOKJQVWEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14767893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.68

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

5.388

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.31

Polar Surface Area

63.989

Acid Dissociation Constant (pKa)

26.29

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

C530-1203 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 C530-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C530-1203?
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What is the minimum amount of C530-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C530-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C530-1203
  • 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 C530-1203 available by request