V020-3440 Screening compound: 2-fluoro-N-[4-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide

V020-3440 Screening compound: 2-fluoro-N-[4-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
V020-3440 Screening compound: 2-fluoro-N-[4-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3440
2-fluoro-N-[4-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide

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

V020-3440

Molecular Formula

C27H28FN3O2 (C27 H28 FN3 O2)

Compound Name

2-fluoro-N-[4-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide

IUPAC name

2-fluoro-N-[4-(2-oxo-3-{[4-(propan-2-yl)phenyl]methyl}-13-diazinan-1-yl)phenyl]benzamide

SMILES

CC(C)c1ccc(CN(CCCN2c(cc3)ccc3NC(c(cccc3)c3F)=O)C2=O)cc1

InChI

InChI=1S/C27H28FN3O2/c1-19(2)21-10-8-20(9-11-21)18-30-16-5-17-31(27(30)33)23-14-12-22(13-15-23)29-26(32)24-6-3-4-7-25(24)28/h3-4,6-15,19H,5,16-18H2,1-2H3,(H,29,32)

InChI Key

XMSXVIYGGRHONJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.31

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V020-3440 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V020-3440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3440?
Check Price and Availability of V020-3440, 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 V020-3440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3440
  • 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 V020-3440 available by request