2368-1752 Screening compound: 1,3-dimethyl-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

2368-1752 Screening compound: 1,3-dimethyl-5-{[1-(4-nitrophenyl)-2,5-diphenyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
2368-1752 Screening compound: 1,3-dimethyl-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 2368-1752
1,3-dimethyl-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

2368-1752

Molecular Formula

C29H22N4O5 (C29 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(N1C)=O)=Cc(cc2-c3ccccc3)c(-c3ccccc3)n2-c(cc2)ccc2[N+]([O-])=O)=O)C1=O

InChI

InChI=1S/C29H22N4O5/c1-30-27(34)24(28(35)31(2)29(30)36)17-21-18-25(19-9-5-3-6-10-19)32(26(21)20-11-7-4-8-12-20)22-13-15-23(16-14-22)33(37)38/h3-18H,1-2H3

InChI Key

ADPIXGQHGSTIGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.466

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-5.51

Polar Surface Area

78.688

Acid Dissociation Constant (pKa)

32.75

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

2368-1752 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2368-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2368-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1752
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1752
  • 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 2368-1752 available by request