3254-2503 Screening compound: 2-{2-[(E)-[(2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]phenoxy}acetic acid

3254-2503 Screening compound: 2-{2-[(E)-[(2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]phenoxy}acetic acid
3254-2503 Screening compound: 2-{2-[(E)-[(2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]phenoxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2503
2-{2-[(E)-[(2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-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

3254-2503

Molecular Formula

C28H27N5O7S (C28 H27 N5 O7 S)

Compound Name

2-{2-[(E)-[(2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]phenoxy}acetic acid

IUPAC name

2-{2-[(E)-[(2-{[4-phenyl-5-(345-trimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamido)imino]methyl]phenoxy}acetic acid

SMILES

COc1cc(-c(n2-c3ccccc3)nnc2SCC(N/N=C/c(cccc2)c2OCC(O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C28H27N5O7S/c1-37-22-13-19(14-23(38-2)26(22)39-3)27-31-32-28(33(27)20-10-5-4-6-11-20)41-17-24(34)30-29-15-18-9-7-8-12-21(18)40-16-25(35)36/h4-15H,16-17H2,1-3H3,(H,30,34)(H,35,36)

InChI Key

RKVAKYHAHUPLEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02075140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

-0.377

Water Solubility, LogSw

-4.01

Polar Surface Area

119.034

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

3254-2503 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3254-2503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2503?
Check Price and Availability of 3254-2503, 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 3254-2503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2503
  • 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 3254-2503 available by request