4710-0021 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]pentanedioic acid

4710-0021 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]pentanedioic acid
4710-0021 Screening compound: 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]pentanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4710-0021
2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]pentanedioic 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

4710-0021

Molecular Formula

C22H20N2O8 (C22 H20 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

OC(CCC(C(O)=O)NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C22H20N2O8/c25-19(26)9-7-15(22(29)30)23-21(28)16(24-20(27)14-4-2-1-3-5-14)10-13-6-8-17-18(11-13)32-12-31-17/h1-6,8,10-11,15H,7,9,12H2,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/t15-/m0/s1

InChI Key

XKJQNQDSTLBSBS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03447916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.380

Distribution Coefficient, logD

-3.275

Water Solubility, LogSw

-1.93

Polar Surface Area

120.386

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4710-0021 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 4710-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4710-0021?
Check Price and Availability of 4710-0021, 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 4710-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4710-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4710-0021
  • 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 4710-0021 available by request