8018-5638 Screening compound: {[4-ethyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl cyanide

8018-5638 Screening compound: {[4-ethyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl cyanide
8018-5638 Screening compound: {[4-ethyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5638
{[4-ethyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl cyanide

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

8018-5638

Molecular Formula

C11H12N4OS (C11 H12 N4 OS)

Compound Name

{[4-ethyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl cyanide

IUPAC name

2-{[4-ethyl-5-(2-methylfuran-3-yl)-4H-124-triazol-3-yl]sulfanyl}acetonitrile

SMILES

CCn1c(SCC#N)nnc1-c1c(C)occ1

InChI

InChI=1S/C11H12N4OS/c1-3-15-10(9-4-6-16-8(9)2)13-14-11(15)17-7-5-12/h4,6H,3,7H2,1-2H3

InChI Key

QAVDGVURMQAGDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07626776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.597

Distribution Coefficient, logD

1.597

Water Solubility, LogSw

-2.36

Polar Surface Area

49.962

Acid Dissociation Constant (pKa)

19.48

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with 8018-5638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5638?
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What is the minimum amount of 8018-5638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5638
  • 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 8018-5638 available by request