1762-0268 Screening compound: 2-(4,5-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide

1762-0268 Screening compound: 2-(4,5-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide
1762-0268 Screening compound: 2-(4,5-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1762-0268
2-(4,5-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide

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

1762-0268

Molecular Formula

C17H12N6O8 (C17 H12 N6 O8)

Compound Name

2-(4,5-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide

IUPAC name

2-(45-dinitro-1H-imidazol-1-yl)-N-(3-nitro-5-phenoxyphenyl)acetamide

SMILES

[O-][N+](c(n(CC(Nc1cc([N+]([O-])=O)cc(Oc2ccccc2)c1)=O)cn1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H12N6O8/c24-15(9-20-10-18-16(22(27)28)17(20)23(29)30)19-11-6-12(21(25)26)8-14(7-11)31-13-4-2-1-3-5-13/h1-8,10H,9H2,(H,19,24)

InChI Key

VDIJECJEMCBPPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00621374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.32

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.25

Polar Surface Area

139.714

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1762-0268 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1762-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1762-0268?
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What is the minimum amount of 1762-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1762-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1762-0268
  • 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 1762-0268 available by request