2712-4779 Screening compound: methyl 5-chloro-2-methoxy-4-(2-phenylacetamido)benzoate

2712-4779 Screening compound: methyl 5-chloro-2-methoxy-4-(2-phenylacetamido)benzoate
2712-4779 Screening compound: methyl 5-chloro-2-methoxy-4-(2-phenylacetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4779
methyl 5-chloro-2-methoxy-4-(2-phenylacetamido)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

2712-4779

Molecular Formula

C17H16ClNO4 (C17 H16 ClNO4)

Compound Name

methyl 5-chloro-2-methoxy-4-(2-phenylacetamido)benzoate

IUPAC name

n/a

SMILES

COC(c(c(OC)c1)cc(Cl)c1NC(Cc1ccccc1)=O)=O

InChI

InChI=1S/C17H16ClNO4/c1-22-15-10-14(13(18)9-12(15)17(21)23-2)19-16(20)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)

InChI Key

IHQUDYZWTNDTEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.464

Water Solubility, LogSw

-4.11

Polar Surface Area

51.223

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

2712-4779 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2712-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4779?
Check Price and Availability of 2712-4779, 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 2712-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4779
  • 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 2712-4779 available by request