1502-1550 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{2,2,2-trichloro-1-[(2-methylphenyl)amino]ethyl}carbamate

1502-1550 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{2,2,2-trichloro-1-[(2-methylphenyl)amino]ethyl}carbamate
1502-1550 Screening compound: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{2,2,2-trichloro-1-[(2-methylphenyl)amino]ethyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-1550
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{2,2,2-trichloro-1-[(2-methylphenyl)amino]ethyl}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

1502-1550

Molecular Formula

C16H18Cl3N5O4 (C16 H18 Cl3 N5 O4)

Compound Name

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{2,2,2-trichloro-1-[(2-methylphenyl)amino]ethyl}carbamate

IUPAC name

2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl N-{222-trichloro-1-[(2-methylphenyl)amino]ethyl}carbamate

SMILES

Cc(n1CCOC(NC(C(Cl)(Cl)Cl)Nc2c(C)cccc2)=O)ncc1[N+]([O-])=O

InChI

InChI=1S/C16H18Cl3N5O4/c1-10-5-3-4-6-12(10)21-14(16(17,18)19)22-15(25)28-8-7-23-11(2)20-9-13(23)24(26)27/h3-6,9,14,21H,7-8H2,1-2H3,(H,22,25)/t14-/m1/s1

InChI Key

VXQNNTLJMJDESO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00651848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.55

Polar Surface Area

85.827

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

1502-1550 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 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 1502-1550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-1550?
Check Price and Availability of 1502-1550, 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 1502-1550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-1550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-1550
  • 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 1502-1550 available by request