3379-3307 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]acetic acid

3379-3307 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]acetic acid
3379-3307 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3307
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]acetic 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

3379-3307

Molecular Formula

C20H18N2O7 (C20 H18 N2 O7)

Compound Name

2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]acetic acid

IUPAC name

2-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]acetic acid

SMILES

COc(cccc1)c1C(N/C(/C(NCC(O)=O)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H18N2O7/c1-27-15-5-3-2-4-13(15)19(25)22-14(20(26)21-10-18(23)24)8-12-6-7-16-17(9-12)29-11-28-16/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)(H,23,24)

InChI Key

ZKXQPLKOPRPJKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.075

Distribution Coefficient, logD

-2.561

Water Solubility, LogSw

-2.37

Polar Surface Area

99.978

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3379-3307 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3379-3307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3307?
Check Price and Availability of 3379-3307, 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 3379-3307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3307
  • 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 3379-3307 available by request