3633-0258 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2-methylpropoxy)phenyl]formamido}prop-2-enoic acid

3633-0258 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2-methylpropoxy)phenyl]formamido}prop-2-enoic acid
3633-0258 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2-methylpropoxy)phenyl]formamido}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3633-0258
(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2-methylpropoxy)phenyl]formamido}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

3633-0258

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-{[4-(2-methylpropoxy)phenyl]formamido}prop-2-enoic acid

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-2-{[4-(2-methylpropoxy)phenyl]formamido}prop-2-enoic acid

SMILES

CC(C)COc(cc1)ccc1C(N/C(/C(O)=O)=C/c(cc1)cc2c1OCO2)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.668

Distribution Coefficient, logD

-0.433

Water Solubility, LogSw

-3.87

Polar Surface Area

75.186

Acid Dissociation Constant (pKa)

3.30

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3633-0258 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 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
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3633-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3633-0258?
Check Price and Availability of 3633-0258, 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 3633-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3633-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3633-0258
  • 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 3633-0258 available by request