V028-0618 Screening compound: 4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide

V028-0618 Screening compound: 4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide
V028-0618 Screening compound: 4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0618
4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)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

V028-0618

Molecular Formula

C29H34F3N5OS (C29 H34 F3 N5 OS)

Compound Name

4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide

IUPAC name

4-{[(45-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-(2-methylpropyl)benzamide

SMILES

CC(C)CNC(c1ccc(CSc2nc(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)c(C)c(C)n2)cc1)=O

InChI

InChI=1S/C29H34F3N5OS/c1-19(2)17-33-27(38)23-10-8-22(9-11-23)18-39-28-34-21(4)20(3)26(35-28)37-14-12-36(13-15-37)25-7-5-6-24(16-25)29(30,31)32/h5-11,16,19H,12-15,17-18H2,1-4H3,(H,33,38)

InChI Key

VCBSXYHIGWUNRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829863

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

557.68

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

6.303

Distribution Coefficient, logD

6.301

Water Solubility, LogSw

-5.65

Polar Surface Area

49.168

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

References: we are preparing a list of scientific research reports with V028-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0618?
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What is the minimum amount of V028-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0618
  • 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 V028-0618 available by request