J018-0182 Screening compound: 2-({6-[2-(N-ethylacetamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

J018-0182 Screening compound: 2-({6-[2-(N-ethylacetamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
J018-0182 Screening compound: 2-({6-[2-(N-ethylacetamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J018-0182
2-({6-[2-(N-ethylacetamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(naphthalen-1-yl)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

J018-0182

Molecular Formula

C25H23N5O3S (C25 H23 N5 O3 S)

Compound Name

2-({6-[2-(N-ethylacetamido)phenyl]-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

IUPAC name

2-({6-[2-(N-ethylacetamido)phenyl]-5-oxo-45-dihydro-124-triazin-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

SMILES

CCN(C(C)=O)c(cccc1)c1C(C(N1)=O)=NN=C1SCC(Nc1cccc2ccccc12)=O

InChI

InChI=1S/C25H23N5O3S/c1-3-30(16(2)31)21-14-7-6-12-19(21)23-24(33)27-25(29-28-23)34-15-22(32)26-20-13-8-10-17-9-4-5-11-18(17)20/h4-14H,3,15H2,1-2H3,(H,26,32)(H,27,29,33)

InChI Key

URRPCHIZVOIKPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.47

Polar Surface Area

82.762

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

J018-0182 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 J018-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J018-0182?
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What is the minimum amount of J018-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J018-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J018-0182
  • 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 J018-0182 available by request