V006-6647 Screening compound: 1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol

V006-6647 Screening compound: 1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-(2-methylphenoxy)propan-2-ol
V006-6647 Screening compound: 1-(4-{6-ethyl-2-methyl-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 V006-6647
1-(4-{6-ethyl-2-methyl-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

V006-6647

Molecular Formula

C29H38N4O2 (C29 H38 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(Cc2ccc(C)cc2)c(N2CCN(CC(COc3c(C)cccc3)O)CC2)nc(C)n1

InChI

InChI=1S/C29H38N4O2/c1-5-27-26(18-24-12-10-21(2)11-13-24)29(31-23(4)30-27)33-16-14-32(15-17-33)19-25(34)20-35-28-9-7-6-8-22(28)3/h6-13,25,34H,5,14-20H2,1-4H3/t25-/m0/s1

InChI Key

IJDNKWNNRXBTSG-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19885246

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.736

Water Solubility, LogSw

-5.65

Polar Surface Area

50.548

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.83

V006-6647 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-6647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6647?
Check Price and Availability of V006-6647, 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 V006-6647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6647
  • 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 V006-6647 available by request