V009-4601 Screening compound: 1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenoxypropan-2-ol

V009-4601 Screening compound: 1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenoxypropan-2-ol
V009-4601 Screening compound: 1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4601
1-(4-{6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-3-phenoxypropan-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

V009-4601

Molecular Formula

C28H36N4O2 (C28 H36 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(Cc2ccc(C)cc2)c(N2CCN(CC(COc3ccccc3)O)CC2)nc(C)n1

InChI

InChI=1S/C28H36N4O2/c1-4-27-26(18-23-12-10-21(2)11-13-23)28(30-22(3)29-27)32-16-14-31(15-17-32)19-24(33)20-34-25-8-6-5-7-9-25/h5-13,24,33H,4,14-20H2,1-3H3/t24-/m0/s1

InChI Key

LGNUVNDAHGNUCA-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19885240

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.109

Water Solubility, LogSw

-5.24

Polar Surface Area

50.461

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

V009-4601 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V009-4601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4601?
Check Price and Availability of V009-4601, 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 V009-4601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4601
  • 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 V009-4601 available by request