C522-0649 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide

C522-0649 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
C522-0649 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C522-0649
N-{2-[bis(2-methylpropyl)amino]ethyl}-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}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

C522-0649

Molecular Formula

C29H46N4O4 (C29 H46 N4 O4)

Compound Name

N-{2-[bis(2-methylpropyl)amino]ethyl}-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-{2-[bis(2-methylpropyl)amino]ethyl}-1-{[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}piperidine-4-carboxamide

SMILES

CC(C)CN(CCNC(C1CCN(Cc2c(C)oc(-c(cc3)cc(OC)c3OC)n2)CC1)=O)CC(C)C

InChI

InChI=1S/C29H46N4O4/c1-20(2)17-33(18-21(3)4)15-12-30-28(34)23-10-13-32(14-11-23)19-25-22(5)37-29(31-25)24-8-9-26(35-6)27(16-24)36-7/h8-9,16,20-21,23H,10-15,17-19H2,1-7H3,(H,30,34)

InChI Key

YTWLXNVTKYVXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

1.894

Water Solubility, LogSw

-3.96

Polar Surface Area

65.842

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.50

C522-0649 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 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

References: we are preparing a list of scientific research reports with C522-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C522-0649?
Check Price and Availability of C522-0649, 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 C522-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C522-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C522-0649
  • 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 C522-0649 available by request