V006-4977 Screening compound: 4-[(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

V006-4977 Screening compound: 4-[(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile
V006-4977 Screening compound: 4-[(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4977
4-[(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

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

V006-4977

Molecular Formula

C22H18F3N5O2S (C22 H18 F3 N5 O2 S)

Compound Name

4-[(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

IUPAC name

4-[(4-{4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl}piperazin-1-yl)sulfonyl]benzonitrile

SMILES

N#Cc(cc1)ccc1S(N(CC1)CCN1c1nc(-c2cc(C(F)(F)F)ccc2)ccn1)(=O)=O

InChI

InChI=1S/C22H18F3N5O2S/c23-22(24,25)18-3-1-2-17(14-18)20-8-9-27-21(28-20)29-10-12-30(13-11-29)33(31,32)19-6-4-16(15-26)5-7-19/h1-9,14H,10-13H2

InChI Key

HRMRQURQNXSNSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943703

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.53

Polar Surface Area

69.925

Acid Dissociation Constant (pKa)

20.87

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V006-4977 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V006-4977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4977?
Check Price and Availability of V006-4977, 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 V006-4977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4977
  • 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 V006-4977 available by request