1889-4753 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide

1889-4753 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide
1889-4753 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-4753
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide

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

1889-4753

Molecular Formula

C15H12ClN3O7 (C15 H12 ClN3 O7)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitrobenzamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-35-dinitrobenzamide

SMILES

COc(c(NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C15H12ClN3O7/c1-25-13-7-12(14(26-2)6-11(13)16)17-15(20)8-3-9(18(21)22)5-10(4-8)19(23)24/h3-7H,1-2H3,(H,17,20)

InChI Key

GXYPORXZBHARSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

0.784

Water Solubility, LogSw

-3.97

Polar Surface Area

104.656

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 1889-4753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-4753?
Check Price and Availability of 1889-4753, 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 1889-4753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-4753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-4753
  • 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 1889-4753 available by request