V028-0083 Screening compound: 1-[6-(3,4-difluorophenoxy)-4-pyrimidinyl]-4-(4-methylphenyl)piperazine

V028-0083 Screening compound: 1-[6-(3,4-difluorophenoxy)-4-pyrimidinyl]-4-(4-methylphenyl)piperazine
V028-0083 Screening compound: 1-[6-(3,4-difluorophenoxy)-4-pyrimidinyl]-4-(4-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0083
1-[6-(3,4-difluorophenoxy)-4-pyrimidinyl]-4-(4-methylphenyl)piperazine

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

V028-0083

Molecular Formula

C21H20F2N4O (C21 H20 F2 N4 O)

Compound Name

1-[6-(3,4-difluorophenoxy)-4-pyrimidinyl]-4-(4-methylphenyl)piperazine

IUPAC name

4-(34-difluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine

SMILES

Cc(cc1)ccc1N(CC1)CCN1c1cc(Oc(cc2)cc(F)c2F)ncn1

InChI

InChI=1S/C21H20F2N4O/c1-15-2-4-16(5-3-15)26-8-10-27(11-9-26)20-13-21(25-14-24-20)28-17-6-7-18(22)19(23)12-17/h2-7,12-14H,8-11H2,1H3

InChI Key

BLROGRJSIDYBTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862103

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

382.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.000

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.75

Polar Surface Area

32.873

Acid Dissociation Constant (pKa)

22.92

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

V028-0083 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V028-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0083?
Check Price and Availability of V028-0083, 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 V028-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0083
  • 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 V028-0083 available by request