2733-3787 Screening compound: (4E)-2-methyl-1-(3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

2733-3787 Screening compound: (4E)-2-methyl-1-(3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
2733-3787 Screening compound: (4E)-2-methyl-1-(3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2733-3787
(4E)-2-methyl-1-(3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

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

2733-3787

Molecular Formula

C17H12N4O5 (C17 H12 N4 O5)

Compound Name

(4E)-2-methyl-1-(3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4E)-2-methyl-1-(3-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-45-dihydro-1H-imidazol-5-one

SMILES

CC(N(C1=O)c2cccc([N+]([O-])=O)c2)=N/C1=C/c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C17H12N4O5/c1-11-18-16(9-12-5-7-13(8-6-12)20(23)24)17(22)19(11)14-3-2-4-15(10-14)21(25)26/h2-10H,1H3

InChI Key

VPFGFFFNRAAJCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.24

Polar Surface Area

90.727

Acid Dissociation Constant (pKa)

20.94

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 2733-3787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2733-3787?
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What is the minimum amount of 2733-3787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2733-3787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2733-3787
  • 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 2733-3787 available by request