3379-2624 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid

3379-2624 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid
3379-2624 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2624
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic 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

3379-2624

Molecular Formula

C20H20N2O7S (C20 H20 N2 O7 S)

Compound Name

2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid

IUPAC name

2-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-[(furan-2-yl)formamido]prop-2-enamido]-4-(methylsulfanyl)butanoic acid

SMILES

CSCCC(C(O)=O)NC(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H20N2O7S/c1-30-8-6-13(20(25)26)21-18(23)14(22-19(24)16-3-2-7-27-16)9-12-4-5-15-17(10-12)29-11-28-15/h2-5,7,9-10,13H,6,8,11H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t13-/m0/s1

InChI Key

IASAJVBNAROAHJ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02227539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.184

Distribution Coefficient, logD

-2.183

Water Solubility, LogSw

-2.14

Polar Surface Area

100.580

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3379-2624 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3379-2624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2624?
Check Price and Availability of 3379-2624, 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 3379-2624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2624
  • 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 3379-2624 available by request