2368-0485 Screening compound: (5Z)-5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

2368-0485 Screening compound: (5Z)-5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
2368-0485 Screening compound: (5Z)-5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0485
(5Z)-5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-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

2368-0485

Molecular Formula

C34H24ClN3O3 (C34 H24 ClN3 O3)

Compound Name

(5Z)-5-{[1-(4-chlorophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-{[1-(4-chlorophenyl)-25-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Cl)=O)C1=O

InChI

InChI=1S/C34H24ClN3O3/c1-22-12-16-28(17-13-22)38-33(40)29(32(39)36-34(38)41)20-25-21-30(23-8-4-2-5-9-23)37(27-18-14-26(35)15-19-27)31(25)24-10-6-3-7-11-24/h2-21H,1H3,(H,36,39,41)

InChI Key

WRJFTRYSAQIQTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.208

Distribution Coefficient, logD

6.933

Water Solubility, LogSw

-6.38

Polar Surface Area

53.571

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.90

2368-0485 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2368-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2368-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0485
  • 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 2368-0485 available by request