2423-5078 Screening compound: 2-{2-[(E)-({2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

2423-5078 Screening compound: 2-{2-[(E)-({2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid
2423-5078 Screening compound: 2-{2-[(E)-({2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2423-5078
2-{2-[(E)-({2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]phenoxy}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

2423-5078

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

2-{2-[(E)-({2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

IUPAC name

2-{2-[(E)-({2-[(1-ethyl-1H-13-benzodiazol-2-yl)sulfanyl]acetamido}imino)methyl]phenoxy}acetic acid

SMILES

CCn1c(SCC(N/N=C/c(cccc2)c2OCC(O)=O)=O)nc2c1cccc2

InChI

InChI=1S/C20H20N4O4S/c1-2-24-16-9-5-4-8-15(16)22-20(24)29-13-18(25)23-21-11-14-7-3-6-10-17(14)28-12-19(26)27/h3-11H,2,12-13H2,1H3,(H,23,25)(H,26,27)

InChI Key

UODVPISMPXVGFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

-0.493

Water Solubility, LogSw

-3.87

Polar Surface Area

81.817

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2423-5078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2423-5078?
Check Price and Availability of 2423-5078, 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 2423-5078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2423-5078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2423-5078
  • 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 2423-5078 available by request