D216-2142 Screening compound: 3-(2,4-difluorophenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea

D216-2142 Screening compound: 3-(2,4-difluorophenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea
D216-2142 Screening compound: 3-(2,4-difluorophenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2142
3-(2,4-difluorophenyl)-1-[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

D216-2142

Molecular Formula

C18H19F2N3O (C18 H19 F2 N3 O)

Compound Name

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

IUPAC name

3-(24-difluorophenyl)-1-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]urea

SMILES

O=C(NCCN(CC1)Cc2c1cccc2)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C18H19F2N3O/c19-15-5-6-17(16(20)11-15)22-18(24)21-8-10-23-9-7-13-3-1-2-4-14(13)12-23/h1-6,11H,7-10,12H2,(H2,21,22,24)

InChI Key

SDGIBYLRSIQXAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

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

3.175

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-3.24

Polar Surface Area

36.652

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D216-2142 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D216-2142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2142?
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What is the minimum amount of D216-2142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2142
  • 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 D216-2142 available by request