D216-2113 Screening compound: 1-(3,4-dimethylphenyl)-3-[3-(4-propylpiperazin-1-yl)propyl]urea

D216-2113 Screening compound: 1-(3,4-dimethylphenyl)-3-[3-(4-propylpiperazin-1-yl)propyl]urea
D216-2113 Screening compound: 1-(3,4-dimethylphenyl)-3-[3-(4-propylpiperazin-1-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2113
1-(3,4-dimethylphenyl)-3-[3-(4-propylpiperazin-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

D216-2113

Molecular Formula

C19H32N4O (C19 H32 N4 O)

Compound Name

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

IUPAC name

1-(34-dimethylphenyl)-3-[3-(4-propylpiperazin-1-yl)propyl]urea

SMILES

CCCN1CCN(CCCNC(Nc2cc(C)c(C)cc2)=O)CC1

InChI

InChI=1S/C19H32N4O/c1-4-9-22-11-13-23(14-12-22)10-5-8-20-19(24)21-18-7-6-16(2)17(3)15-18/h6-7,15H,4-5,8-14H2,1-3H3,(H2,20,21,24)

InChI Key

UWZVJUTYOPBJPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-3.05

Polar Surface Area

41.478

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

D216-2113 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D216-2113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2113?
Check Price and Availability of D216-2113, 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 D216-2113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2113
  • 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 D216-2113 available by request