E634-1409 Screening compound: N-(3-fluoro-4-methylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

E634-1409 Screening compound: N-(3-fluoro-4-methylphenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
E634-1409 Screening compound: N-(3-fluoro-4-methylphenyl)-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 E634-1409
N-(3-fluoro-4-methylphenyl)-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

E634-1409

Molecular Formula

C25H22FN5O2S (C25 H22 FN5 O2 S)

Compound Name

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

SMILES

Cc(cccc1)c1-n1c(SCC(Nc2cc(F)c(C)cc2)=O)nnc1-c1cc(occ2)c2n1C

InChI

InChI=1S/C25H22FN5O2S/c1-15-8-9-17(12-18(15)26)27-23(32)14-34-25-29-28-24(31(25)19-7-5-4-6-16(19)2)21-13-22-20(30(21)3)10-11-33-22/h4-13H,14H2,1-3H3,(H,27,32)

InChI Key

XXGKDKCTDRJKHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

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

5.035

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-4.64

Polar Surface Area

57.568

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E634-1409 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E634-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E634-1409?
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What is the minimum amount of E634-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-1409
  • 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 E634-1409 available by request