V004-3941 Screening compound: 1-(4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol

V004-3941 Screening compound: 1-(4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol
V004-3941 Screening compound: 1-(4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3941
1-(4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol

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

V004-3941

Molecular Formula

C28H36N4O2 (C28 H36 N4 O2)

Compound Name

1-(4-{2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-(4-{26-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(CC(COc3c(C)cccc3)O)CC2)cc1

InChI

InChI=1S/C28H36N4O2/c1-20-9-11-24(12-10-20)17-26-22(3)29-23(4)30-28(26)32-15-13-31(14-16-32)18-25(33)19-34-27-8-6-5-7-21(27)2/h5-12,25,33H,13-19H2,1-4H3/t25-/m0/s1

InChI Key

UNLTWTTYAHHYRP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19885210

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.203

Water Solubility, LogSw

-5.49

Polar Surface Area

49.859

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V004-3941 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • 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 V004-3941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3941?
Check Price and Availability of V004-3941, 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 V004-3941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3941
  • 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 V004-3941 available by request