P533-0150 Screening compound: 4-methyl-3-{4-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

P533-0150 Screening compound: 4-methyl-3-{4-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione
P533-0150 Screening compound: 4-methyl-3-{4-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound P533-0150
4-methyl-3-{4-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-phenyl-1H-1lambda~6~-isothiazole-1,1-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

P533-0150

Molecular Formula

C21H25N5O3S (C21 H25 N5 O3 S)

Compound Name

4-methyl-3-{4-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-1,4-diazepan-1-yl}-5-phenyl-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

4-methyl-3-{4-[2-(2-methyl-1H-imidazol-1-yl)acetyl]-14-diazepan-1-yl}-5-phenyl-1lambda62-thiazole-11-dione

SMILES

CC(C(N(CCC1)CCN1C(Cn1c(C)ncc1)=O)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C21H25N5O3S/c1-16-20(18-7-4-3-5-8-18)30(28,29)23-21(16)25-11-6-10-24(13-14-25)19(27)15-26-12-9-22-17(26)2/h3-5,7-9,12H,6,10-11,13-15H2,1-2H3

InChI Key

YCQBGECEKALTKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27604110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.050

Distribution Coefficient, logD

0.025

Water Solubility, LogSw

-2.28

Polar Surface Area

71.948

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P533-0150 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P533-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P533-0150?
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What is the minimum amount of P533-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P533-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P533-0150
  • 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 P533-0150 available by request