2357-3595 Screening compound: 4-[(E)-[(2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate

2357-3595 Screening compound: 4-[(E)-[(2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate
2357-3595 Screening compound: 4-[(E)-[(2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2357-3595
4-[(E)-[(2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate

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

2357-3595

Molecular Formula

C29H29N5O7S (C29 H29 N5 O7 S)

Compound Name

4-[(E)-[(2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate

IUPAC name

4-[(E)-[(2-{[5-(34-dimethoxyphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=N/NC(CSc1nnc(-c(cc2)cc(OC)c2OC)n1-c1ccccc1)=O)c1)c1OC)=O

InChI

InChI=1S/C29H29N5O7S/c1-18(35)41-27-24(39-4)13-19(14-25(27)40-5)16-30-31-26(36)17-42-29-33-32-28(34(29)21-9-7-6-8-10-21)20-11-12-22(37-2)23(15-20)38-3/h6-16H,17H2,1-5H3,(H,31,36)

InChI Key

WAQLKXRLNVACHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-4.08

Polar Surface Area

111.532

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

2357-3595 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 2357-3595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2357-3595?
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What is the minimum amount of 2357-3595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2357-3595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2357-3595
  • 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 2357-3595 available by request