3379-3337 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]-4-methylpentanoic acid

3379-3337 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]-4-methylpentanoic acid
3379-3337 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3337
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]-4-methylpentanoic 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

3379-3337

Molecular Formula

C24H26N2O7 (C24 H26 N2 O7)

Compound Name

2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]-4-methylpentanoic acid

IUPAC name

2-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(2-methoxyphenyl)formamido]prop-2-enamido]-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(/C(/NC(c(cccc1)c1OC)=O)=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C24H26N2O7/c1-14(2)10-18(24(29)30)26-23(28)17(11-15-8-9-20-21(12-15)33-13-32-20)25-22(27)16-6-4-5-7-19(16)31-3/h4-9,11-12,14,18H,10,13H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t18-/m0/s1

InChI Key

VWFQSUWKJRZIJS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01957267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

-1.281

Water Solubility, LogSw

-3.10

Polar Surface Area

99.632

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

3379-3337 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 3379-3337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3337?
Check Price and Availability of 3379-3337, 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 3379-3337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3337
  • 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 3379-3337 available by request