4286-0059 Screening compound: 1-(4-chlorophenyl)-5-(4-nitrobenzoyl)-1H-imidazol-4-amine

4286-0059 Screening compound: 1-(4-chlorophenyl)-5-(4-nitrobenzoyl)-1H-imidazol-4-amine
4286-0059 Screening compound: 1-(4-chlorophenyl)-5-(4-nitrobenzoyl)-1H-imidazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0059
1-(4-chlorophenyl)-5-(4-nitrobenzoyl)-1H-imidazol-4-amine

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

4286-0059

Molecular Formula

C16H11ClN4O3 (C16 H11 ClN4 O3)

Compound Name

1-(4-chlorophenyl)-5-(4-nitrobenzoyl)-1H-imidazol-4-amine

IUPAC name

1-(4-chlorophenyl)-5-(4-nitrobenzoyl)-1H-imidazol-4-amine

SMILES

Nc(nc1)c(C(c(cc2)ccc2[N+]([O-])=O)=O)n1-c(cc1)ccc1Cl

InChI

InChI=1S/C16H11ClN4O3/c17-11-3-7-12(8-4-11)20-9-19-16(18)14(20)15(22)10-1-5-13(6-2-10)21(23)24/h1-9H,18H2

InChI Key

AQXVGAUGXMAAKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01242003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.73

Polar Surface Area

77.967

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4286-0059 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4286-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0059?
Check Price and Availability of 4286-0059, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4286-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0059
  • 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 4286-0059 available by request