V027-8648 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile

V027-8648 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
V027-8648 Screening compound: 2-{5-[(3-chlorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8648
2-{5-[(3-chlorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile

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

V027-8648

Molecular Formula

C19H19ClF3N5O2S (C19 H19 ClF3 N5 O2 S)

Compound Name

2-{5-[(3-chlorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile

IUPAC name

2-{5-[(3-chlorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile

SMILES

CS(N(CC1)CCN1c1c(Cc2cccc(Cl)c2)c(C(F)(F)F)nc(CC#N)n1)(=O)=O

InChI

InChI=1S/C19H19ClF3N5O2S/c1-31(29,30)28-9-7-27(8-10-28)18-15(12-13-3-2-4-14(20)11-13)17(19(21,22)23)25-16(26-18)5-6-24/h2-4,11H,5,7-10,12H2,1H3

InChI Key

RRQIVWANMPTDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785048

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-4.01

Polar Surface Area

72.459

Acid Dissociation Constant (pKa)

20.45

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

V027-8648 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V027-8648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8648?
Check Price and Availability of V027-8648, 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 V027-8648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8648
  • 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 V027-8648 available by request