V016-4585 Screening compound: 6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazino]-4(3H)-pyrimidinone

V016-4585 Screening compound: 6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazino]-4(3H)-pyrimidinone
V016-4585 Screening compound: 6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazino]-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4585
6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazino]-4(3H)-pyrimidinone

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

V016-4585

Molecular Formula

C22H30ClN5O2 (C22 H30 ClN5 O2)

Compound Name

6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-2,2-dimethylpropanoyl)piperazino]-4(3H)-pyrimidinone

IUPAC name

6-{[benzyl(methyl)amino]methyl}-2-[4-(3-chloro-22-dimethylpropanoyl)piperazin-1-yl]-34-dihydropyrimidin-4-one

SMILES

CC(C)(CCl)C(N(CC1)CCN1C(N1)=NC(CN(C)Cc2ccccc2)=CC1=O)=O

InChI

InChI=1S/C22H30ClN5O2/c1-22(2,16-23)20(30)27-9-11-28(12-10-27)21-24-18(13-19(29)25-21)15-26(3)14-17-7-5-4-6-8-17/h4-8,13H,9-12,14-16H2,1-3H3,(H,24,25,29)

InChI Key

OSGDKZWKLIPMRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19859701

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

-0.106

Water Solubility, LogSw

-2.89

Polar Surface Area

58.935

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with V016-4585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4585?
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What is the minimum amount of V016-4585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4585
  • 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 V016-4585 available by request