2159-0521 Screening compound: 2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

2159-0521 Screening compound: 2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate
2159-0521 Screening compound: 2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0521
2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

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

2159-0521

Molecular Formula

C20H22ClNO4 (C20 H22 ClNO4)

Compound Name

2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

IUPAC name

2-methylpropyl 4-[2-(4-chloro-3-methylphenoxy)acetamido]benzoate

SMILES

CC(C)COC(c(cc1)ccc1NC(COc(cc1)cc(C)c1Cl)=O)=O

InChI

InChI=1S/C20H22ClNO4/c1-13(2)11-26-20(24)15-4-6-16(7-5-15)22-19(23)12-25-17-8-9-18(21)14(3)10-17/h4-10,13H,11-12H2,1-3H3,(H,22,23)

InChI Key

WQQPMHJQSITUOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-6.10

Polar Surface Area

51.745

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2159-0521 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2159-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0521?
Check Price and Availability of 2159-0521, 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 2159-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0521
  • 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 2159-0521 available by request