2228-0275 Screening compound: (1E)-2-{1-[(2-chlorophenyl)methyl]-1H-imidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate

2228-0275 Screening compound: (1E)-2-{1-[(2-chlorophenyl)methyl]-1H-imidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate
2228-0275 Screening compound: (1E)-2-{1-[(2-chlorophenyl)methyl]-1H-imidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2228-0275
(1E)-2-{1-[(2-chlorophenyl)methyl]-1H-imidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate

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

2228-0275

Molecular Formula

C25H17ClN4O6 (C25 H17 ClN4 O6)

Compound Name

(1E)-2-{1-[(2-chlorophenyl)methyl]-1H-imidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate

IUPAC name

(1E)-2-{1-[(2-chlorophenyl)methyl]-1H-imidazol-2-yl}-1-(4-nitrophenyl)ethenyl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1/C(/OC(c(cc1)ccc1[N+]([O-])=O)=O)=C\c1nccn1Cc(cccc1)c1Cl)=O

InChI

InChI=1S/C25H17ClN4O6/c26-22-4-2-1-3-19(22)16-28-14-13-27-24(28)15-23(17-5-9-20(10-6-17)29(32)33)36-25(31)18-7-11-21(12-8-18)30(34)35/h1-15H,16H2

InChI Key

DWGIHXLZZUUVLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.89

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.746

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-6.02

Polar Surface Area

98.904

Acid Dissociation Constant (pKa)

22.51

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

2228-0275 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2228-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2228-0275?
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What is the minimum amount of 2228-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2228-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2228-0275
  • 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 2228-0275 available by request