E634-1412 Screening compound: 3-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

E634-1412 Screening compound: 3-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
E634-1412 Screening compound: 3-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E634-1412
3-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

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

E634-1412

Molecular Formula

C26H26N4OS (C26 H26 N4 OS)

Compound Name

3-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-5-{[(2,4,6-trimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole

IUPAC name

3-{4-methyl-4H-furo[32-b]pyrrol-5-yl}-4-(2-methylphenyl)-5-{[(246-trimethylphenyl)methyl]sulfanyl}-4H-124-triazole

SMILES

Cc1cc(C)c(CSc2nnc(-c3cc(occ4)c4n3C)n2-c2c(C)cccc2)c(C)c1

InChI

InChI=1S/C26H26N4OS/c1-16-12-18(3)20(19(4)13-16)15-32-26-28-27-25(30(26)21-9-7-6-8-17(21)2)23-14-24-22(29(23)5)10-11-31-24/h6-14H,15H2,1-5H3

InChI Key

KQPACKBSRPYNGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.630

Distribution Coefficient, logD

6.630

Water Solubility, LogSw

-5.77

Polar Surface Area

34.419

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

E634-1412 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 E634-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of E634-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-1412
  • 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 E634-1412 available by request