D216-2165 Screening compound: 3-(2,3-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea

D216-2165 Screening compound: 3-(2,3-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea
D216-2165 Screening compound: 3-(2,3-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2165
3-(2,3-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]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

D216-2165

Molecular Formula

C17H28N4O (C17 H28 N4 O)

Compound Name

3-(2,3-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea

IUPAC name

3-(23-dimethylphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]urea

SMILES

Cc1cccc(NC(NCCCN2CCN(C)CC2)=O)c1C

InChI

InChI=1S/C17H28N4O/c1-14-6-4-7-16(15(14)2)19-17(22)18-8-5-9-21-12-10-20(3)11-13-21/h4,6-7H,5,8-13H2,1-3H3,(H2,18,19,22)

InChI Key

SBBADJNNUOHCPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-2.16

Polar Surface Area

40.466

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

D216-2165 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D216-2165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2165?
Check Price and Availability of D216-2165, 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 D216-2165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2165
  • 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 D216-2165 available by request