V029-2858 Screening compound: 1-{6-[(3-chlorophenyl)methyl]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-methylpiperidine

V029-2858 Screening compound: 1-{6-[(3-chlorophenyl)methyl]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-methylpiperidine
V029-2858 Screening compound: 1-{6-[(3-chlorophenyl)methyl]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2858
1-{6-[(3-chlorophenyl)methyl]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-methylpiperidine

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

V029-2858

Molecular Formula

C27H31ClN4O (C27 H31 ClN4 O)

Compound Name

1-{6-[(3-chlorophenyl)methyl]-4-(4-methylphenoxy)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-methylpiperidine

IUPAC name

1-{6-[(3-chlorophenyl)methyl]-4-(4-methylphenoxy)-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}-4-methylpiperidine

SMILES

CC(CC1)CCN1c1nc(Oc2ccc(C)cc2)c(CN(Cc2cccc(Cl)c2)CC2)c2n1

InChI

InChI=1S/C27H31ClN4O/c1-19-6-8-23(9-7-19)33-26-24-18-31(17-21-4-3-5-22(28)16-21)13-12-25(24)29-27(30-26)32-14-10-20(2)11-15-32/h3-9,16,20H,10-15,17-18H2,1-2H3

InChI Key

XOFCBPQYVZPGRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19932643

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.041

Distribution Coefficient, logD

7.041

Water Solubility, LogSw

-6.45

Polar Surface Area

33.590

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

V029-2858 in Drug Discovery

Included in Screening Libraries

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 V029-2858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2858?
Check Price and Availability of V029-2858, 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 V029-2858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2858
  • 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 V029-2858 available by request