V026-6844 Screening compound: 2-[(3,5-difluorobenzyl)sulfanyl]-3,6-dimethyl-5-(3-methylbenzyl)-4(3H)-pyrimidinone

V026-6844 Screening compound: 2-[(3,5-difluorobenzyl)sulfanyl]-3,6-dimethyl-5-(3-methylbenzyl)-4(3H)-pyrimidinone
V026-6844 Screening compound: 2-[(3,5-difluorobenzyl)sulfanyl]-3,6-dimethyl-5-(3-methylbenzyl)-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6844
2-[(3,5-difluorobenzyl)sulfanyl]-3,6-dimethyl-5-(3-methylbenzyl)-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

V026-6844

Molecular Formula

C21H20F2N2OS (C21 H20 F2 N2 OS)

Compound Name

2-[(3,5-difluorobenzyl)sulfanyl]-3,6-dimethyl-5-(3-methylbenzyl)-4(3H)-pyrimidinone

IUPAC name

2-{[(35-difluorophenyl)methyl]sulfanyl}-36-dimethyl-5-[(3-methylphenyl)methyl]-34-dihydropyrimidin-4-one

SMILES

Cc1cccc(CC(C(N2C)=O)=C(C)N=C2SCc2cc(F)cc(F)c2)c1

InChI

InChI=1S/C21H20F2N2OS/c1-13-5-4-6-15(7-13)10-19-14(2)24-21(25(3)20(19)26)27-12-16-8-17(22)11-18(23)9-16/h4-9,11H,10,12H2,1-3H3

InChI Key

XPNQLJNYRINDPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842371

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.47

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

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.79

Polar Surface Area

25.188

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with V026-6844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6844?
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What is the minimum amount of V026-6844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6844
  • 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 V026-6844 available by request