8016-4674 Screening compound: 2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2-thienylmethyl)acetamide

8016-4674 Screening compound: 2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2-thienylmethyl)acetamide
8016-4674 Screening compound: 2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4674
2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2-thienylmethyl)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

8016-4674

Molecular Formula

C14H14N4O2S2 (C14 H14 N4 O2 S2)

Compound Name

2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-(2-thienylmethyl)acetamide

IUPAC name

2-{[5-(furan-2-yl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cn1c(SCC(NCc2cccs2)=O)nnc1-c1ccco1

InChI

InChI=1S/C14H14N4O2S2/c1-18-13(11-5-2-6-20-11)16-17-14(18)22-9-12(19)15-8-10-4-3-7-21-10/h2-7H,8-9H2,1H3,(H,15,19)

InChI Key

NGWOVHJMMIUGSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03047745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.821

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-2.29

Polar Surface Area

59.119

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8016-4674 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-4674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4674?
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What is the minimum amount of 8016-4674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4674
  • 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 8016-4674 available by request