2368-1777 Screening compound: (5E)-1-(3-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

2368-1777 Screening compound: (5E)-1-(3-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
2368-1777 Screening compound: (5E)-1-(3-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1777
(5E)-1-(3-methylphenyl)-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-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

2368-1777

Molecular Formula

C34H24N4O5 (C34 H24 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C/c(cc3-c4ccccc4)c(-c4ccccc4)n3-c(cc3)ccc3[N+]([O-])=O)=O)C2=O)c1

InChI

InChI=1S/C34H24N4O5/c1-22-9-8-14-28(19-22)37-33(40)29(32(39)35-34(37)41)20-25-21-30(23-10-4-2-5-11-23)36(31(25)24-12-6-3-7-13-24)26-15-17-27(18-16-26)38(42)43/h2-21H,1H3,(H,35,39,41)

InChI Key

PALXTBPUHAENLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.614

Distribution Coefficient, logD

6.546

Water Solubility, LogSw

-5.72

Polar Surface Area

86.953

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.90

2368-1777 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2368-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2368-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1777
  • 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 2368-1777 available by request