V003-5313 Screening compound: 4-tert-butyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrimidine

V003-5313 Screening compound: 4-tert-butyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrimidine
V003-5313 Screening compound: 4-tert-butyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5313
4-tert-butyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrimidine

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

V003-5313

Molecular Formula

C34H44N6OS (C34 H44 N6 OS)

Compound Name

4-tert-butyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrimidine

IUPAC name

4-tert-butyl-2-({[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl}sulfanyl)-6-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrimidine

SMILES

CC(C)(C)c1nc(SCc(cc2)ccc2C(N2CCN(C)CC2)=O)nc(N2CCN(C/C=C/c3ccccc3)CC2)c1

InChI

InChI=1S/C34H44N6OS/c1-34(2,3)30-25-31(39-23-19-38(20-24-39)16-8-11-27-9-6-5-7-10-27)36-33(35-30)42-26-28-12-14-29(15-13-28)32(41)40-21-17-37(4)18-22-40/h5-15,25H,16-24,26H2,1-4H3

InChI Key

JGPFOMKSJWJKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19832924

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.802

Distribution Coefficient, logD

5.671

Water Solubility, LogSw

-5.50

Polar Surface Area

43.820

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.10

V003-5313 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-5313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5313?
Check Price and Availability of V003-5313, 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 V003-5313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5313
  • 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 V003-5313 available by request