V029-1242 Screening compound: 6-(tert-butyl)-3-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-pyrimidinone

V029-1242 Screening compound: 6-(tert-butyl)-3-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-pyrimidinone
V029-1242 Screening compound: 6-(tert-butyl)-3-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1242
6-(tert-butyl)-3-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-pyrimidinone

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

V029-1242

Molecular Formula

C17H19F3N2OS (C17 H19 F3 N2 OS)

Compound Name

6-(tert-butyl)-3-methyl-2-{[2-(trifluoromethyl)benzyl]sulfanyl}-4(3H)-pyrimidinone

IUPAC name

6-tert-butyl-3-methyl-2-({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)-34-dihydropyrimidin-4-one

SMILES

CC(C)(C)C(N=C(N1C)SCc2c(C(F)(F)F)cccc2)=CC1=O

InChI

InChI=1S/C17H19F3N2OS/c1-16(2,3)13-9-14(23)22(4)15(21-13)24-10-11-7-5-6-8-12(11)17(18,19)20/h5-9H,10H2,1-4H3

InChI Key

UZHSXKONKVFZHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842348

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.48

Polar Surface Area

26.443

Acid Dissociation Constant (pKa)

30.96

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

V029-1242 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1242?
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What is the minimum amount of V029-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1242
  • 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 V029-1242 available by request