E634-1398 Screening compound: N-(2,4-dimethylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

E634-1398 Screening compound: N-(2,4-dimethylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
E634-1398 Screening compound: N-(2,4-dimethylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E634-1398
N-(2,4-dimethylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

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

E634-1398

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

N-(2,4-dimethylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(24-dimethylphenyl)-2-[(5-{4-methyl-4H-furo[32-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nnc(-c2cc(occ3)c3n2C)n1-c1c(C)cccc1)=O

InChI

InChI=1S/C26H25N5O2S/c1-16-9-10-19(18(3)13-16)27-24(32)15-34-26-29-28-25(31(26)20-8-6-5-7-17(20)2)22-14-23-21(30(22)4)11-12-33-23/h5-14H,15H2,1-4H3,(H,27,32)

InChI Key

MBGXTDFGNMZYNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.54

Polar Surface Area

56.871

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

E634-1398 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 E634-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E634-1398?
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What is the minimum amount of E634-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-1398
  • 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 E634-1398 available by request