8018-8781 Screening compound: N~5~-[(1-ethyl-4-piperidyl)methyl]-3-(4-methoxyphenyl)-5-isoxazolecarboxamide

8018-8781 Screening compound: N~5~-[(1-ethyl-4-piperidyl)methyl]-3-(4-methoxyphenyl)-5-isoxazolecarboxamide
8018-8781 Screening compound: N~5~-[(1-ethyl-4-piperidyl)methyl]-3-(4-methoxyphenyl)-5-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8781
N~5~-[(1-ethyl-4-piperidyl)methyl]-3-(4-methoxyphenyl)-5-isoxazolecarboxamide

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

8018-8781

Molecular Formula

C19H25N3O3 (C19 H25 N3 O3)

Compound Name

N~5~-[(1-ethyl-4-piperidyl)methyl]-3-(4-methoxyphenyl)-5-isoxazolecarboxamide

IUPAC name

N-[(1-ethylpiperidin-4-yl)methyl]-3-(4-methoxyphenyl)-12-oxazole-5-carboxamide

SMILES

CCN1CCC(CNC(c2cc(-c(cc3)ccc3OC)no2)=O)CC1

InChI

InChI=1S/C19H25N3O3/c1-3-22-10-8-14(9-11-22)13-20-19(23)18-12-17(21-25-18)15-4-6-16(24-2)7-5-15/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,20,23)

InChI Key

IXJJKCYNARIEKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

-0.316

Water Solubility, LogSw

-3.29

Polar Surface Area

57.460

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

10.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

8018-8781 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8018-8781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8781?
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What is the minimum amount of 8018-8781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8781
  • 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 8018-8781 available by request