1683-6987 Screening compound: methyl 4-[(2E)-3-phenylprop-2-enamido]benzoate

1683-6987 Screening compound: methyl 4-[(2E)-3-phenylprop-2-enamido]benzoate
1683-6987 Screening compound: methyl 4-[(2E)-3-phenylprop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6987
methyl 4-[(2E)-3-phenylprop-2-enamido]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

1683-6987

Molecular Formula

C17H15NO3 (C17 H15 NO3)

Compound Name

methyl 4-[(2E)-3-phenylprop-2-enamido]benzoate

IUPAC name

methyl 4-[(2E)-3-phenylprop-2-enamido]benzoate

SMILES

COC(c(cc1)ccc1NC(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C17H15NO3/c1-21-17(20)14-8-10-15(11-9-14)18-16(19)12-7-13-5-3-2-4-6-13/h2-12H,1H3,(H,18,19)

InChI Key

VDMAMUWHQMFKON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00522626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-4.24

Polar Surface Area

44.290

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1683-6987 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1683-6987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6987?
Check Price and Availability of 1683-6987, 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 1683-6987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6987
  • 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 1683-6987 available by request