V029-5008 Screening compound: 1-(4-{5-[(2-fluorophenyl)methyl]-6-methyl-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one

V029-5008 Screening compound: 1-(4-{5-[(2-fluorophenyl)methyl]-6-methyl-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
V029-5008 Screening compound: 1-(4-{5-[(2-fluorophenyl)methyl]-6-methyl-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5008
1-(4-{5-[(2-fluorophenyl)methyl]-6-methyl-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one

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

V029-5008

Molecular Formula

C21H27FN4O (C21 H27 FN4 O)

Compound Name

1-(4-{5-[(2-fluorophenyl)methyl]-6-methyl-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one

IUPAC name

1-(4-{5-[(2-fluorophenyl)methyl]-6-methyl-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one

SMILES

CC(C)c1nc(N(CC2)CCN2C(C)=O)c(Cc(cccc2)c2F)c(C)n1

InChI

InChI=1S/C21H27FN4O/c1-14(2)20-23-15(3)18(13-17-7-5-6-8-19(17)22)21(24-20)26-11-9-25(10-12-26)16(4)27/h5-8,14H,9-13H2,1-4H3

InChI Key

DQXKHUZCMUYMRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785296

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

370.47

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

4.163

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.24

Polar Surface Area

39.696

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

V029-5008 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-5008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5008?
Check Price and Availability of V029-5008, 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 V029-5008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5008
  • 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 V029-5008 available by request