V009-8424 Screening compound: 1-[4-(2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

V009-8424 Screening compound: 1-[4-(2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
V009-8424 Screening compound: 1-[4-(2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8424
1-[4-(2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

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

V009-8424

Molecular Formula

C27H29F3N4O (C27 H29 F3 N4 O)

Compound Name

1-[4-(2,6-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

IUPAC name

1-[4-(26-dimethyl-5-{[3-(trifluoromethyl)phenyl]methyl}pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

SMILES

Cc1nc(C)nc(N(CC2)CCN2C(CCc2ccccc2)=O)c1Cc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H29F3N4O/c1-19-24(18-22-9-6-10-23(17-22)27(28,29)30)26(32-20(2)31-19)34-15-13-33(14-16-34)25(35)12-11-21-7-4-3-5-8-21/h3-10,17H,11-16,18H2,1-2H3

InChI Key

NYRAPJDJXIDXFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850386

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.484

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-5.61

Polar Surface Area

38.042

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V009-8424 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V009-8424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8424?
Check Price and Availability of V009-8424, 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 V009-8424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8424
  • 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 V009-8424 available by request