V008-3380 Screening compound: 5-[(4-chlorophenyl)methyl]-4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine

V008-3380 Screening compound: 5-[(4-chlorophenyl)methyl]-4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
V008-3380 Screening compound: 5-[(4-chlorophenyl)methyl]-4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3380
5-[(4-chlorophenyl)methyl]-4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine

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

V008-3380

Molecular Formula

C25H33ClN4O (C25 H33 ClN4 O)

Compound Name

5-[(4-chlorophenyl)methyl]-4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine

IUPAC name

5-[(4-chlorophenyl)methyl]-4-(4-cyclohexanecarbonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine

SMILES

CCc1nc(C)nc(N(CC2)CCN2C(C2CCCCC2)=O)c1Cc(cc1)ccc1Cl

InChI

InChI=1S/C25H33ClN4O/c1-3-23-22(17-19-9-11-21(26)12-10-19)24(28-18(2)27-23)29-13-15-30(16-14-29)25(31)20-7-5-4-6-8-20/h9-12,20H,3-8,13-17H2,1-2H3

InChI Key

XBWZIOUVCCHNNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.846

Distribution Coefficient, logD

5.737

Water Solubility, LogSw

-5.86

Polar Surface Area

39.450

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

V008-3380 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V008-3380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3380?
Check Price and Availability of V008-3380, 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 V008-3380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3380
  • 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 V008-3380 available by request