D216-2143 Screening compound: 3-(2-methoxy-5-methylphenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea

D216-2143 Screening compound: 3-(2-methoxy-5-methylphenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea
D216-2143 Screening compound: 3-(2-methoxy-5-methylphenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2143
3-(2-methoxy-5-methylphenyl)-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

D216-2143

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

3-(2-methoxy-5-methylphenyl)-1-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]urea

IUPAC name

3-(2-methoxy-5-methylphenyl)-1-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]urea

SMILES

Cc(cc1)cc(NC(NCCN(CC2)Cc3c2cccc3)=O)c1OC

InChI

InChI=1S/C20H25N3O2/c1-15-7-8-19(25-2)18(13-15)22-20(24)21-10-12-23-11-9-16-5-3-4-6-17(16)14-23/h3-8,13H,9-12,14H2,1-2H3,(H2,21,22,24)

InChI Key

JUJKQFOXWBCNBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

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

3.096

Distribution Coefficient, logD

1.536

Water Solubility, LogSw

-3.24

Polar Surface Area

44.282

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D216-2143 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D216-2143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2143?
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What is the minimum amount of D216-2143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2143
  • 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 D216-2143 available by request