V001-2251 Screening compound: 2-[(3-fluorobenzyl)sulfanyl]-3,6-dimethyl-5-(2-methylbenzyl)-4(3H)-pyrimidinone

V001-2251 Screening compound: 2-[(3-fluorobenzyl)sulfanyl]-3,6-dimethyl-5-(2-methylbenzyl)-4(3H)-pyrimidinone
V001-2251 Screening compound: 2-[(3-fluorobenzyl)sulfanyl]-3,6-dimethyl-5-(2-methylbenzyl)-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2251
2-[(3-fluorobenzyl)sulfanyl]-3,6-dimethyl-5-(2-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

V001-2251

Molecular Formula

C21H21FN2OS (C21 H21 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CC(C(N2C)=O)=C(C)N=C2SCc2cc(F)ccc2)cccc1

InChI

InChI=1S/C21H21FN2OS/c1-14-7-4-5-9-17(14)12-19-15(2)23-21(24(3)20(19)25)26-13-16-8-6-10-18(22)11-16/h4-11H,12-13H2,1-3H3

InChI Key

PMHNYYFZALWZER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19776357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

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

4.818

Distribution Coefficient, logD

4.818

Water Solubility, LogSw

-4.74

Polar Surface Area

25.188

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

V001-2251 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V001-2251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2251?
Check Price and Availability of V001-2251, 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 V001-2251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2251
  • 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 V001-2251 available by request