1778-2746 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3,5-dimethylpiperidine

1778-2746 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3,5-dimethylpiperidine
1778-2746 Screening compound: 1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-2746
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3,5-dimethylpiperidine

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

1778-2746

Molecular Formula

C18H21ClN2O2 (C18 H21 ClN2 O2)

Compound Name

1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3,5-dimethylpiperidine

IUPAC name

1-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carbonyl]-35-dimethylpiperidine

SMILES

CC(CC(C)C1)CN1C(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C18H21ClN2O2/c1-11-8-12(2)10-21(9-11)18(22)16-13(3)23-20-17(16)14-6-4-5-7-15(14)19/h4-7,11-12H,8-10H2,1-3H3

InChI Key

YBMIVNGOUISOMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01115751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.58

Polar Surface Area

38.714

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

1778-2746 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1778-2746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-2746?
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What is the minimum amount of 1778-2746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-2746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-2746
  • 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 1778-2746 available by request