2712-4808 Screening compound: methyl 5-chloro-4-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-2-methoxybenzoate

2712-4808 Screening compound: methyl 5-chloro-4-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-2-methoxybenzoate
2712-4808 Screening compound: methyl 5-chloro-4-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4808
methyl 5-chloro-4-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-2-methoxybenzoate

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

2712-4808

Molecular Formula

C18H14Cl3NO4 (C18 H14 Cl3 NO4)

Compound Name

methyl 5-chloro-4-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-2-methoxybenzoate

IUPAC name

methyl 5-chloro-4-[(2E)-3-(24-dichlorophenyl)prop-2-enamido]-2-methoxybenzoate

SMILES

COC(c(c(OC)c1)cc(Cl)c1NC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C18H14Cl3NO4/c1-25-16-9-15(14(21)8-12(16)18(24)26-2)22-17(23)6-4-10-3-5-11(19)7-13(10)20/h3-9H,1-2H3,(H,22,23)

InChI Key

ROPXNRJFIRYIKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.67

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

6.166

Distribution Coefficient, logD

5.741

Water Solubility, LogSw

-6.28

Polar Surface Area

51.223

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2712-4808 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2712-4808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4808?
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What is the minimum amount of 2712-4808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4808
  • 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 2712-4808 available by request