3382-1061 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

3382-1061 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
3382-1061 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3382-1061
N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-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

3382-1061

Molecular Formula

C23H18N2OS (C23 H18 N2 OS)

Compound Name

N-(1,2-dihydroacenaphthylen-5-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

IUPAC name

N-(12-dihydroacenaphthylen-5-yl)-4-methyl-2-phenyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2ccc(CC3)c4c3cccc24)=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C23H18N2OS/c1-14-21(27-23(24-14)17-6-3-2-4-7-17)22(26)25-19-13-12-16-11-10-15-8-5-9-18(19)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,25,26)

InChI Key

BLJTVRRNHKODJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.061

Distribution Coefficient, logD

6.053

Water Solubility, LogSw

-6.12

Polar Surface Area

32.958

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

3382-1061 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3382-1061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3382-1061?
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What is the minimum amount of 3382-1061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3382-1061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3382-1061
  • 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 3382-1061 available by request