C522-0739 Screening compound: 1-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-N-(2-METHYLCYCLOHEXYL)PIPERIDINE-4-CARBOXAMIDE

C522-0739 Screening compound: 1-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-N-(2-METHYLCYCLOHEXYL)PIPERIDINE-4-CARBOXAMIDE
C522-0739 Screening compound: 1-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-N-(2-METHYLCYCLOHEXYL)PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-0739
1-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-N-(2-METHYLCYCLOHEXYL)PIPERIDINE-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

C522-0739

Molecular Formula

C24H32ClN3O2 (C24 H32 ClN3 O2)

Compound Name

1-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-N-(2-METHYLCYCLOHEXYL)PIPERIDINE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(CCCC1)C1NC(C1CCN(Cc2c(C)oc(-c(cc3)ccc3Cl)n2)CC1)=O

InChI

InChI=1S/C24H32ClN3O2/c1-16-5-3-4-6-21(16)26-23(29)18-11-13-28(14-12-18)15-22-17(2)30-24(27-22)19-7-9-20(25)10-8-19/h7-10,16,18,21H,3-6,11-15H2,1-2H3,(H,26,29)

InChI Key

HUCNIQNWHZLKDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-4.57

Polar Surface Area

46.622

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.30

C522-0739 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C522-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-0739?
Check Price and Availability of C522-0739, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C522-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-0739
  • 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 C522-0739 available by request