V017-8234 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-4-[(2-fluorophenyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide

V017-8234 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-4-[(2-fluorophenyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
V017-8234 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-4-[(2-fluorophenyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8234
2-(2H-1,3-benzodioxol-5-yl)-4-[(2-fluorophenyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide

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

V017-8234

Molecular Formula

C25H26FN5O3 (C25 H26 FN5 O3)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-4-[(2-fluorophenyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide

IUPAC name

2-(2H-13-benzodioxol-5-yl)-4-[(2-fluorophenyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide

SMILES

CN(C1CCN(C)CC1)C(c1cnc(-c(cc2)cc3c2OCO3)nc1Nc(cccc1)c1F)=O

InChI

InChI=1S/C25H26FN5O3/c1-30-11-9-17(10-12-30)31(2)25(32)18-14-27-23(16-7-8-21-22(13-16)34-15-33-21)29-24(18)28-20-6-4-3-5-19(20)26/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,27,28,29)

InChI Key

DQYGDOYKGWYVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973555

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-3.84

Polar Surface Area

63.708

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V017-8234 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V017-8234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8234?
Check Price and Availability of V017-8234, 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 V017-8234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8234
  • 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 V017-8234 available by request