V026-6868 Screening compound: N-cyclopropyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

V026-6868 Screening compound: N-cyclopropyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
V026-6868 Screening compound: N-cyclopropyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6868
N-cyclopropyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

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

V026-6868

Molecular Formula

C28H30F3N5OS (C28 H30 F3 N5 OS)

Compound Name

N-cyclopropyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

IUPAC name

N-cyclopropyl-4-{[(4-ethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide

SMILES

CCc1nc(SCc(cc2)ccc2C(NC2CC2)=O)nc(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C28H30F3N5OS/c1-2-22-17-25(36-14-12-35(13-15-36)24-5-3-4-21(16-24)28(29,30)31)34-27(33-22)38-18-19-6-8-20(9-7-19)26(37)32-23-10-11-23/h3-9,16-17,23H,2,10-15,18H2,1H3,(H,32,37)

InChI Key

RYPHQDUJYYPBFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.58

Polar Surface Area

48.401

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V026-6868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6868?
Check Price and Availability of V026-6868, 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 V026-6868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6868
  • 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 V026-6868 available by request