C660-0727 Screening compound: 3-(4-chlorophenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C660-0727 Screening compound: 3-(4-chlorophenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
C660-0727 Screening compound: 3-(4-chlorophenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0727
3-(4-chlorophenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

C660-0727

Molecular Formula

C25H26ClN5O (C25 H26 ClN5 O)

Compound Name

3-(4-chlorophenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

3-(4-chlorophenyl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

Cc1cccc(CN2CCC(CNc3c(c(-c(cc4)ccc4Cl)no4)c4ncn3)CC2)c1

InChI

InChI=1S/C25H26ClN5O/c1-17-3-2-4-19(13-17)15-31-11-9-18(10-12-31)14-27-24-22-23(20-5-7-21(26)8-6-20)30-32-25(22)29-16-28-24/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,27,28,29)

InChI Key

WHXMVLCHDRSDGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.648

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-6.18

Polar Surface Area

56.756

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C660-0727 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C660-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0727?
Check Price and Availability of C660-0727, 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 C660-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0727
  • 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 C660-0727 available by request