4710-0016 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]propanoic acid

4710-0016 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]propanoic acid
4710-0016 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4710-0016
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]propanoic 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

4710-0016

Molecular Formula

C20H18N2O6 (C20 H18 N2 O6)

Compound Name

2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]propanoic acid

IUPAC name

2-[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]propanoic acid

SMILES

CC(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C20H18N2O6/c1-12(20(25)26)21-19(24)15(22-18(23)14-5-3-2-4-6-14)9-13-7-8-16-17(10-13)28-11-27-16/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t12-/m0/s1

InChI Key

MIWVVQMVAIPNSG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03447915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.289

Distribution Coefficient, logD

-2.109

Water Solubility, LogSw

-2.10

Polar Surface Area

91.535

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4710-0016 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 4710-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4710-0016?
Check Price and Availability of 4710-0016, 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 4710-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4710-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4710-0016
  • 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 4710-0016 available by request