V026-3746 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide

V026-3746 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
V026-3746 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3746
3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide

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

V026-3746

Molecular Formula

C30H30N6O2S (C30 H30 N6 O2 S)

Compound Name

3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide

IUPAC name

3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide

SMILES

CC(N(CC1)CCN1c1cc(-c2ccccc2)nc(SCc2cc(C(NCc3ncccc3)=O)ccc2)n1)=O

InChI

InChI=1S/C30H30N6O2S/c1-22(37)35-14-16-36(17-15-35)28-19-27(24-9-3-2-4-10-24)33-30(34-28)39-21-23-8-7-11-25(18-23)29(38)32-20-26-12-5-6-13-31-26/h2-13,18-19H,14-17,20-21H2,1H3,(H,32,38)

InChI Key

MAOSMGKTPMMRPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818288

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

538.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.804

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.62

Polar Surface Area

71.057

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V026-3746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3746?
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What is the minimum amount of V026-3746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3746
  • 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 V026-3746 available by request