8017-3817 Screening compound: N~1~-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-(2-pyridylsulfanyl)acetamide

8017-3817 Screening compound: N~1~-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-(2-pyridylsulfanyl)acetamide
8017-3817 Screening compound: N~1~-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-(2-pyridylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3817
N~1~-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-(2-pyridylsulfanyl)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

8017-3817

Molecular Formula

C16H16N4OS (C16 H16 N4 OS)

Compound Name

N~1~-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-2-(2-pyridylsulfanyl)acetamide

IUPAC name

N-(1-phenyl-45-dihydro-1H-pyrazol-3-yl)-2-(pyridin-2-ylsulfanyl)acetamide

SMILES

O=C(CSc1ncccc1)NC(CC1)=NN1c1ccccc1

InChI

InChI=1S/C16H16N4OS/c21-15(12-22-16-8-4-5-10-17-16)18-14-9-11-20(19-14)13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,18,19,21)

InChI Key

UGNPABCFQVFMHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.230

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.63

Polar Surface Area

47.943

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8017-3817 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 8017-3817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3817?
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What is the minimum amount of 8017-3817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3817
  • 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 8017-3817 available by request