4338-2262 Screening compound: (2E)-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-(phenylformamido)prop-2-enoic acid

4338-2262 Screening compound: (2E)-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-(phenylformamido)prop-2-enoic acid
4338-2262 Screening compound: (2E)-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-(phenylformamido)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-2262
(2E)-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-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

4338-2262

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

(2E)-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-(phenylformamido)prop-2-enoic acid

IUPAC name

(2E)-3-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-(phenylformamido)prop-2-enoic acid

SMILES

CC(COc(ccc(/C=C(\C(O)=O)/NC(c1ccccc1)=O)c1)c1OC)=C

InChI

InChI=1S/C21H21NO5/c1-14(2)13-27-18-10-9-15(12-19(18)26-3)11-17(21(24)25)22-20(23)16-7-5-4-6-8-16/h4-12H,1,13H2,2-3H3,(H,22,23)(H,24,25)

InChI Key

HRVJZDILYYJOBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.133

Distribution Coefficient, logD

-0.969

Water Solubility, LogSw

-3.29

Polar Surface Area

65.787

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4338-2262 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)

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

References: we are preparing a list of scientific research reports with 4338-2262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-2262?
Check Price and Availability of 4338-2262, 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 4338-2262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-2262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-2262
  • 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 4338-2262 available by request