2368-0229 Screening compound: (5Z)-5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione

2368-0229 Screening compound: (5Z)-5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
2368-0229 Screening compound: (5Z)-5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0229
(5Z)-5-{[1-(4-bromophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1-(4-chlorophenyl)-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

2368-0229

Molecular Formula

C33H21BrClN3O3 (C33 H21 BrClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C/c(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2Br)NC1=O

InChI

InChI=1S/C33H21BrClN3O3/c34-24-11-15-26(16-12-24)37-29(21-7-3-1-4-8-21)20-23(30(37)22-9-5-2-6-10-22)19-28-31(39)36-33(41)38(32(28)40)27-17-13-25(35)14-18-27/h1-20H,(H,36,39,41)

InChI Key

KPOPVNQLMNQFPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.9

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

7.618

Distribution Coefficient, logD

7.343

Water Solubility, LogSw

-6.70

Polar Surface Area

53.571

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2368-0229 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2368-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0229?
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What is the minimum amount of 2368-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0229
  • 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 2368-0229 available by request