1778-2748 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-1,2-oxazole-4-carboxamide

1778-2748 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-1,2-oxazole-4-carboxamide
1778-2748 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1778-2748
3-(2-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-1,2-oxazole-4-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

1778-2748

Molecular Formula

C17H14ClN3O2 (C17 H14 ClN3 O2)

Compound Name

3-(2-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-5-methyl-N-[(pyridin-2-yl)methyl]-12-oxazole-4-carboxamide

SMILES

Cc1c(C(NCc2ncccc2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C17H14ClN3O2/c1-11-15(17(22)20-10-12-6-4-5-9-19-12)16(21-23-11)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,20,22)

InChI Key

NMORPZVMEXINEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01214472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.482

Distribution Coefficient, logD

2.481

Water Solubility, LogSw

-3.48

Polar Surface Area

56.155

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1778-2748 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1778-2748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1778-2748?
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What is the minimum amount of 1778-2748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1778-2748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1778-2748
  • 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 1778-2748 available by request