C323-0007 Screening compound: N-(2-methoxy-5-methylphenyl)-N-(2-methyl-4-nitro-1H-imidazol-5-yl)amine

C323-0007 Screening compound: N-(2-methoxy-5-methylphenyl)-N-(2-methyl-4-nitro-1H-imidazol-5-yl)amine
C323-0007 Screening compound: N-(2-methoxy-5-methylphenyl)-N-(2-methyl-4-nitro-1H-imidazol-5-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C323-0007
N-(2-methoxy-5-methylphenyl)-N-(2-methyl-4-nitro-1H-imidazol-5-yl)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

C323-0007

Molecular Formula

C12H14N4O3 (C12 H14 N4 O3)

Compound Name

N-(2-methoxy-5-methylphenyl)-N-(2-methyl-4-nitro-1H-imidazol-5-yl)amine

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-methyl-4-nitro-1H-imidazol-5-amine

SMILES

Cc1nc([N+]([O-])=O)c(Nc(cc(C)cc2)c2OC)[nH]1

InChI

InChI=1S/C12H14N4O3/c1-7-4-5-10(19-3)9(6-7)15-11-12(16(17)18)14-8(2)13-11/h4-6,15H,1-3H3,(H,13,14)

InChI Key

DZCOGEGDVBDXNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.45

Polar Surface Area

69.240

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C323-0007 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C323-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C323-0007?
Check Price and Availability of C323-0007, 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 C323-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C323-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C323-0007
  • 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 C323-0007 available by request