2332-1746 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate

2332-1746 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate
2332-1746 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1746
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate

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

2332-1746

Molecular Formula

C16H18Cl3N5O4 (C16 H18 Cl3 N5 O4)

Compound Name

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-[1-(benzylamino)-2,2,2-trichloroethyl]carbamate

IUPAC name

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-[1-(benzylamino)-222-trichloroethyl]carbamate

SMILES

Cc(n1CCOC(NC(C(Cl)(Cl)Cl)NCc2ccccc2)=O)ncc1[N+]([O-])=O

InChI

InChI=1S/C16H18Cl3N5O4/c1-11-20-10-13(24(26)27)23(11)7-8-28-15(25)22-14(16(17,18)19)21-9-12-5-3-2-4-6-12/h2-6,10,14,21H,7-9H2,1H3,(H,22,25)/t14-/m0/s1

InChI Key

BLHFSXGYKXYAMG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00562880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

2.535

Water Solubility, LogSw

-3.10

Polar Surface Area

87.847

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

2332-1746 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2332-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1746?
Check Price and Availability of 2332-1746, 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 2332-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1746
  • 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 2332-1746 available by request