2368-1284 Screening compound: 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-1,3-diazinane-2,4,6-trione

2368-1284 Screening compound: 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-1,3-diazinane-2,4,6-trione
2368-1284 Screening compound: 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-1284
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-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

2368-1284

Molecular Formula

C29H22N4O5 (C29 H22 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(C=C(C(N(c2ccccc2)C(N2c3ccccc3)=O)=O)C2=O)c(C)n1-c1cccc([N+]([O-])=O)c1

InChI

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

InChI Key

VJNFKXAAPBRJHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01611271

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

3.830

Distribution Coefficient, logD

3.830

Water Solubility, LogSw

-4.02

Polar Surface Area

79.874

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

References: we are preparing a list of scientific research reports with 2368-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-1284
  • 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 2368-1284 available by request