2159-1200 Screening compound: N-[4-(benzyloxy)phenyl]-3,6-dichloro-2-methoxybenzamide

2159-1200 Screening compound: N-[4-(benzyloxy)phenyl]-3,6-dichloro-2-methoxybenzamide
2159-1200 Screening compound: N-[4-(benzyloxy)phenyl]-3,6-dichloro-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-1200
N-[4-(benzyloxy)phenyl]-3,6-dichloro-2-methoxybenzamide

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

2159-1200

Molecular Formula

C21H17Cl2NO3 (C21 H17 Cl2 NO3)

Compound Name

N-[4-(benzyloxy)phenyl]-3,6-dichloro-2-methoxybenzamide

IUPAC name

N-[4-(benzyloxy)phenyl]-36-dichloro-2-methoxybenzamide

SMILES

COc(c(C(Nc(cc1)ccc1OCc1ccccc1)=O)c(cc1)Cl)c1Cl

InChI

InChI=1S/C21H17Cl2NO3/c1-26-20-18(23)12-11-17(22)19(20)21(25)24-15-7-9-16(10-8-15)27-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,25)

InChI Key

CSSJAAWKBBOEKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01182762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.399

Water Solubility, LogSw

-6.19

Polar Surface Area

38.274

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2159-1200 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 2159-1200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-1200?
Check Price and Availability of 2159-1200, 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 2159-1200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-1200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-1200
  • 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 2159-1200 available by request