E634-1417 Screening compound: 3-{[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile

E634-1417 Screening compound: 3-{[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
E634-1417 Screening compound: 3-{[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound E634-1417
3-{[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile

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

E634-1417

Molecular Formula

C24H19N5OS (C24 H19 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-n1c(SCc2cc(C#N)ccc2)nnc1-c1cc(occ2)c2n1C

InChI

InChI=1S/C24H19N5OS/c1-16-6-3-4-9-19(16)29-23(21-13-22-20(28(21)2)10-11-30-22)26-27-24(29)31-15-18-8-5-7-17(12-18)14-25/h3-13H,15H2,1-2H3

InChI Key

RJGCGVPOPSDERW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.44

Polar Surface Area

51.475

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E634-1417 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E634-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E634-1417?
Check Price and Availability of E634-1417, 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 E634-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-1417
  • 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 E634-1417 available by request