8018-9488 Screening compound: 1-(2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide

8018-9488 Screening compound: 1-(2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide
8018-9488 Screening compound: 1-(2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9488
1-(2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide

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

8018-9488

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

1-(2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide

IUPAC name

1-(2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetyl)piperidine-4-carboxamide

SMILES

Cc(occ1)c1-c(n1-c2ccccc2)nnc1SCC(N(CC1)CCC1C(N)=O)=O

InChI

InChI=1S/C21H23N5O3S/c1-14-17(9-12-29-14)20-23-24-21(26(20)16-5-3-2-4-6-16)30-13-18(27)25-10-7-15(8-11-25)19(22)28/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H2,22,28)

InChI Key

JFUQAANPBLGXNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.488

Distribution Coefficient, logD

1.488

Water Solubility, LogSw

-2.35

Polar Surface Area

83.397

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8018-9488 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-9488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9488?
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What is the minimum amount of 8018-9488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9488
  • 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 8018-9488 available by request