V026-3807 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide

V026-3807 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
V026-3807 Screening compound: 3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3807
3-({[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]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

V026-3807

Molecular Formula

C30H36N6O3S (C30 H36 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)CCN1c1cc(-c2ccccc2)nc(SCc2cc(C(NCCN3CCOCC3)=O)ccc2)n1)=O

InChI

InChI=1S/C30H36N6O3S/c1-23(37)35-12-14-36(15-13-35)28-21-27(25-7-3-2-4-8-25)32-30(33-28)40-22-24-6-5-9-26(20-24)29(38)31-10-11-34-16-18-39-19-17-34/h2-9,20-21H,10-19,22H2,1H3,(H,31,38)

InChI Key

FIQDRHVXVIANDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818351

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

560.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.86

Polar Surface Area

73.246

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V026-3807 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V026-3807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3807?
Check Price and Availability of V026-3807, 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 V026-3807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3807
  • 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 V026-3807 available by request