D216-2145 Screening compound: 1-(3-methylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea

D216-2145 Screening compound: 1-(3-methylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea
D216-2145 Screening compound: 1-(3-methylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2145
1-(3-methylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]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

D216-2145

Molecular Formula

C19H23N3O (C19 H23 N3 O)

Compound Name

1-(3-methylphenyl)-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea

IUPAC name

1-(3-methylphenyl)-3-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]urea

SMILES

Cc1cccc(NC(NCCN(CC2)Cc3c2cccc3)=O)c1

InChI

InChI=1S/C19H23N3O/c1-15-5-4-8-18(13-15)21-19(23)20-10-12-22-11-9-16-6-2-3-7-17(16)14-22/h2-8,13H,9-12,14H2,1H3,(H2,20,21,23)

InChI Key

WPAHWBREPYJCHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-3.60

Polar Surface Area

37.349

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D216-2145 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D216-2145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2145?
Check Price and Availability of D216-2145, 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 D216-2145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2145
  • 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 D216-2145 available by request