V021-6405 Screening compound: N-benzyl-4-(4-{[4-(2-fluorophenyl)piperazino]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide

V021-6405 Screening compound: N-benzyl-4-(4-{[4-(2-fluorophenyl)piperazino]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide
V021-6405 Screening compound: N-benzyl-4-(4-{[4-(2-fluorophenyl)piperazino]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6405
N-benzyl-4-(4-{[4-(2-fluorophenyl)piperazino]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V021-6405

Molecular Formula

C27H32FN7O2 (C27 H32 FN7 O2)

Compound Name

N-benzyl-4-(4-{[4-(2-fluorophenyl)piperazino]methyl}-6-oxo-1,6-dihydro-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-benzyl-4-(4-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6-oxo-16-dihydropyrimidin-2-yl)piperazine-1-carboxamide

SMILES

O=C(NCc1ccccc1)N(CC1)CCN1C(N1)=NC(CN(CC2)CCN2c(cccc2)c2F)=CC1=O

InChI

InChI=1S/C27H32FN7O2/c28-23-8-4-5-9-24(23)33-12-10-32(11-13-33)20-22-18-25(36)31-26(30-22)34-14-16-35(17-15-34)27(37)29-19-21-6-2-1-3-7-21/h1-9,18H,10-17,19-20H2,(H,29,37)(H,30,31,36)

InChI Key

NKEFJGQGNRCIMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19860008

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.110

Distribution Coefficient, logD

0.986

Water Solubility, LogSw

-2.74

Polar Surface Area

71.654

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.04

V021-6405 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-6405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6405?
Check Price and Availability of V021-6405, 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 V021-6405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6405
  • 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 V021-6405 available by request