8018-4825 Screening compound: 1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole

8018-4825 Screening compound: 1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole
8018-4825 Screening compound: 1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4825
1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole

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

8018-4825

Molecular Formula

C16H24N2O3S (C16 H24 N2 O3 S)

Compound Name

1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methyl-4,5-dihydro-1H-imidazole

IUPAC name

1-[2-ethoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-2-methyl-45-dihydro-1H-imidazole

SMILES

CCOc(cc(C)c(C(C)C)c1)c1S(N1C(C)=NCC1)(=O)=O

InChI

InChI=1S/C16H24N2O3S/c1-6-21-15-9-12(4)14(11(2)3)10-16(15)22(19,20)18-8-7-17-13(18)5/h9-11H,6-8H2,1-5H3

InChI Key

GGXTXLXWTGFBDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-3.27

Polar Surface Area

48.507

Acid Dissociation Constant (pKa)

22.18

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

8018-4825 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-4825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4825?
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What is the minimum amount of 8018-4825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4825
  • 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 8018-4825 available by request