V026-8465 Screening compound: N~1~-benzyl-4-({[4-(4-benzylpiperazino)-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}methyl)-N~1~-methylbenzamide

V026-8465 Screening compound: N~1~-benzyl-4-({[4-(4-benzylpiperazino)-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}methyl)-N~1~-methylbenzamide
V026-8465 Screening compound: N~1~-benzyl-4-({[4-(4-benzylpiperazino)-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}methyl)-N~1~-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-8465
N~1~-benzyl-4-({[4-(4-benzylpiperazino)-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}methyl)-N~1~-methylbenzamide

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

V026-8465

Molecular Formula

C33H37N5O2S (C33 H37 N5 O2 S)

Compound Name

N~1~-benzyl-4-({[4-(4-benzylpiperazino)-6-(methoxymethyl)-2-pyrimidinyl]sulfanyl}methyl)-N~1~-methylbenzamide

IUPAC name

N-benzyl-4-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-methylbenzamide

SMILES

CN(Cc1ccccc1)C(c1ccc(CSc2nc(N3CCN(Cc4ccccc4)CC3)cc(COC)n2)cc1)=O

InChI

InChI=1S/C33H37N5O2S/c1-36(22-26-9-5-3-6-10-26)32(39)29-15-13-28(14-16-29)25-41-33-34-30(24-40-2)21-31(35-33)38-19-17-37(18-20-38)23-27-11-7-4-8-12-27/h3-16,21H,17-20,22-25H2,1-2H3

InChI Key

XVVFNMWNRVKFKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837045

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.32

Polar Surface Area

48.786

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V026-8465 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 V026-8465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-8465?
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What is the minimum amount of V026-8465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-8465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-8465
  • 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 V026-8465 available by request