5041-0117 Screening compound: (2Z)-3-(1H-indol-3-yl)-2-(phenylformamido)prop-2-enoic acid

5041-0117 Screening compound: (2Z)-3-(1H-indol-3-yl)-2-(phenylformamido)prop-2-enoic acid
5041-0117 Screening compound: (2Z)-3-(1H-indol-3-yl)-2-(phenylformamido)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5041-0117
(2Z)-3-(1H-indol-3-yl)-2-(phenylformamido)prop-2-enoic acid

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

5041-0117

Molecular Formula

C18H14N2O3 (C18 H14 N2 O3)

Compound Name

(2Z)-3-(1H-indol-3-yl)-2-(phenylformamido)prop-2-enoic acid

IUPAC name

(2Z)-3-(1H-indol-3-yl)-2-(phenylformamido)prop-2-enoic acid

SMILES

OC(/C(/NC(c1ccccc1)=O)=C/c1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C18H14N2O3/c21-17(12-6-2-1-3-7-12)20-16(18(22)23)10-13-11-19-15-9-5-4-8-14(13)15/h1-11,19H,(H,20,21)(H,22,23)

InChI Key

HVTVLGUFWNSGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02113240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.582

Distribution Coefficient, logD

-0.166

Water Solubility, LogSw

-3.00

Polar Surface Area

60.442

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5041-0117 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Integrin Receptors Targeted library (1715 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5041-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5041-0117?
Check Price and Availability of 5041-0117, 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 5041-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5041-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5041-0117
  • 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 5041-0117 available by request