G516-0385 Screening compound: N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(4-methoxyphenyl)quinazolin-4-amine

G516-0385 Screening compound: N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(4-methoxyphenyl)quinazolin-4-amine
G516-0385 Screening compound: N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(4-methoxyphenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G516-0385
N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(4-methoxyphenyl)quinazolin-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

G516-0385

Molecular Formula

C28H29ClN4O (C28 H29 ClN4 O)

Compound Name

N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(4-methoxyphenyl)quinazolin-4-amine

IUPAC name

N-({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(4-methoxyphenyl)quinazolin-4-amine

SMILES

COc(cc1)ccc1-c1nc2ccccc2c(NCC2CCN(Cc(cccc3)c3Cl)CC2)n1

InChI

InChI=1S/C28H29ClN4O/c1-34-23-12-10-21(11-13-23)27-31-26-9-5-3-7-24(26)28(32-27)30-18-20-14-16-33(17-15-20)19-22-6-2-4-8-25(22)29/h2-13,20H,14-19H2,1H3,(H,30,31,32)

InChI Key

GECMWVJMYZRDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15015107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.138

Distribution Coefficient, logD

5.542

Water Solubility, LogSw

-6.66

Polar Surface Area

40.404

Acid Dissociation Constant (pKa)

19.20

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G516-0385 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G516-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G516-0385?
Check Price and Availability of G516-0385, 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 G516-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G516-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G516-0385
  • 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 G516-0385 available by request