1525-0698 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-1-methyl-4-nitrobenzene

1525-0698 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-1-methyl-4-nitrobenzene
1525-0698 Screening compound: 2-[(2,5-dimethylphenyl)methyl]-1-methyl-4-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1525-0698
2-[(2,5-dimethylphenyl)methyl]-1-methyl-4-nitrobenzene

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

1525-0698

Molecular Formula

C16H17NO2 (C16 H17 NO2)

Compound Name

2-[(2,5-dimethylphenyl)methyl]-1-methyl-4-nitrobenzene

IUPAC name

2-[(25-dimethylphenyl)methyl]-1-methyl-4-nitrobenzene

SMILES

Cc1cc(Cc2c(C)ccc([N+]([O-])=O)c2)c(C)cc1

InChI

InChI=1S/C16H17NO2/c1-11-4-5-12(2)14(8-11)9-15-10-16(17(18)19)7-6-13(15)3/h4-8,10H,9H2,1-3H3

InChI Key

URTQEILWLIIRQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01014763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.622

Water Solubility, LogSw

-5.42

Polar Surface Area

33.348

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1525-0698 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1525-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1525-0698?
Check Price and Availability of 1525-0698, 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 1525-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1525-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1525-0698
  • 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 1525-0698 available by request