V011-3076 Screening compound: 1-{4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl}-3-phenylpropan-2-ol

V011-3076 Screening compound: 1-{4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl}-3-phenylpropan-2-ol
V011-3076 Screening compound: 1-{4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl}-3-phenylpropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3076
1-{4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl}-3-phenylpropan-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

V011-3076

Molecular Formula

C33H38N4O2 (C33 H38 N4 O2)

Compound Name

1-{4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl}-3-phenylpropan-2-ol

IUPAC name

1-{4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl}-3-phenylpropan-2-ol

SMILES

Cc1ccc(Cc2c(N3CCN(CC(Cc4ccccc4)O)CC3)nc(-c3ccccc3)nc2COC)cc1

InChI

InChI=1S/C33H38N4O2/c1-25-13-15-27(16-14-25)22-30-31(24-39-2)34-32(28-11-7-4-8-12-28)35-33(30)37-19-17-36(18-20-37)23-29(38)21-26-9-5-3-6-10-26/h3-16,29,38H,17-24H2,1-2H3/t29-/m0/s1

InChI Key

LMSRUNOUTORHIM-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19885028

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.779

Distribution Coefficient, logD

6.510

Water Solubility, LogSw

-5.85

Polar Surface Area

51.501

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V011-3076 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with V011-3076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3076?
Check Price and Availability of V011-3076, 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 V011-3076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3076
  • 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 V011-3076 available by request