4024-0009 Screening compound: N-(5-chloro-2-methyl-4-nitrophenyl)-3,4,5-trimethoxybenzamide

4024-0009 Screening compound: N-(5-chloro-2-methyl-4-nitrophenyl)-3,4,5-trimethoxybenzamide
4024-0009 Screening compound: N-(5-chloro-2-methyl-4-nitrophenyl)-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4024-0009
N-(5-chloro-2-methyl-4-nitrophenyl)-3,4,5-trimethoxybenzamide

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

4024-0009

Molecular Formula

C17H17ClN2O6 (C17 H17 ClN2 O6)

Compound Name

N-(5-chloro-2-methyl-4-nitrophenyl)-3,4,5-trimethoxybenzamide

IUPAC name

N-(5-chloro-2-methyl-4-nitrophenyl)-345-trimethoxybenzamide

SMILES

Cc(c(NC(c(cc1OC)cc(OC)c1OC)=O)c1)cc([N+]([O-])=O)c1Cl

InChI

InChI=1S/C17H17ClN2O6/c1-9-5-13(20(22)23)11(18)8-12(9)19-17(21)10-6-14(24-2)16(26-4)15(7-10)25-3/h5-8H,1-4H3,(H,19,21)

InChI Key

VBLODYCOJZUJDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.81

Polar Surface Area

78.690

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4024-0009 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4024-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4024-0009?
Check Price and Availability of 4024-0009, 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 4024-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4024-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4024-0009
  • 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 4024-0009 available by request