2081-1391 Screening compound: N-[4-(3-chlorobenzamido)phenyl]-3,4,5-trimethoxybenzamide

2081-1391 Screening compound: N-[4-(3-chlorobenzamido)phenyl]-3,4,5-trimethoxybenzamide
2081-1391 Screening compound: N-[4-(3-chlorobenzamido)phenyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-1391
N-[4-(3-chlorobenzamido)phenyl]-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

2081-1391

Molecular Formula

C23H21ClN2O5 (C23 H21 ClN2 O5)

Compound Name

N-[4-(3-chlorobenzamido)phenyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[4-(3-chlorobenzamido)phenyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(Nc(cc2)ccc2NC(c2cccc(Cl)c2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C23H21ClN2O5/c1-29-19-12-15(13-20(30-2)21(19)31-3)23(28)26-18-9-7-17(8-10-18)25-22(27)14-5-4-6-16(24)11-14/h4-13H,1-3H3,(H,25,27)(H,26,28)

InChI Key

XARQUJLPDMTUBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01146013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.295

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-4.65

Polar Surface Area

69.399

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

2081-1391 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2081-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-1391?
Check Price and Availability of 2081-1391, 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 2081-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-1391
  • 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 2081-1391 available by request