D216-2079 Screening compound: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

D216-2079 Screening compound: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea
D216-2079 Screening compound: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2079
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

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

D216-2079

Molecular Formula

C23H28F3N3O (C23 H28 F3 N3 O)

Compound Name

1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

IUPAC name

1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(NCCCN1CCC(Cc2ccccc2)CC1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C23H28F3N3O/c24-23(25,26)20-9-4-5-10-21(20)28-22(30)27-13-6-14-29-15-11-19(12-16-29)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H2,27,28,30)

InChI Key

KCZIKTLEQOULAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

3.107

Water Solubility, LogSw

-4.79

Polar Surface Area

36.718

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

9.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D216-2079 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Agro:
  • Agro
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 D216-2079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2079?
Check Price and Availability of D216-2079, 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 D216-2079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2079
  • 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 D216-2079 available by request