SC12-0111 Screening compound: 3-(2-methylphenyl)-1-(oxan-4-yl)-1-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]urea

SC12-0111 Screening compound: 3-(2-methylphenyl)-1-(oxan-4-yl)-1-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]urea
SC12-0111 Screening compound: 3-(2-methylphenyl)-1-(oxan-4-yl)-1-[3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0111
3-(2-methylphenyl)-1-(oxan-4-yl)-1-[3-(1,2,3,4-tetrahydroisoquinolin-2-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

SC12-0111

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

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

IUPAC name

3-(2-methylphenyl)-1-(oxan-4-yl)-1-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]urea

SMILES

Cc(cccc1)c1NC(N(CCCN(CC1)Cc2c1cccc2)C1CCOCC1)=O

InChI

InChI=1S/C25H33N3O2/c1-20-7-2-5-10-24(20)26-25(29)28(23-12-17-30-18-13-23)15-6-14-27-16-11-21-8-3-4-9-22(21)19-27/h2-5,7-10,23H,6,11-19H2,1H3,(H,26,29)

InChI Key

WUPKSVUXQPDNNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.025

Distribution Coefficient, logD

3.241

Water Solubility, LogSw

-3.88

Polar Surface Area

35.077

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

SC12-0111 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SC12-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0111?
Check Price and Availability of SC12-0111, 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 SC12-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0111
  • 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 SC12-0111 available by request