SC12-0445 Screening compound: N'-(2-methylphenyl)-N-(3-morpholinopropyl)-N-tetrahydro-2H-pyran-4-ylurea

SC12-0445 Screening compound: N'-(2-methylphenyl)-N-(3-morpholinopropyl)-N-tetrahydro-2H-pyran-4-ylurea
SC12-0445 Screening compound: N'-(2-methylphenyl)-N-(3-morpholinopropyl)-N-tetrahydro-2H-pyran-4-ylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SC12-0445
N'-(2-methylphenyl)-N-(3-morpholinopropyl)-N-tetrahydro-2H-pyran-4-ylurea

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

SC12-0445

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

N'-(2-methylphenyl)-N-(3-morpholinopropyl)-N-tetrahydro-2H-pyran-4-ylurea

IUPAC name

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

SMILES

Cc(cccc1)c1NC(N(CCCN1CCOCC1)C1CCOCC1)=O

InChI

InChI=1S/C20H31N3O3/c1-17-5-2-3-6-19(17)21-20(24)23(18-7-13-25-14-8-18)10-4-9-22-11-15-26-16-12-22/h2-3,5-6,18H,4,7-16H2,1H3,(H,21,24)

InChI Key

RJHPWPZJXSUYMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.969

Distribution Coefficient, logD

1.776

Water Solubility, LogSw

-2.12

Polar Surface Area

43.324

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

SC12-0445 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC12-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC12-0445?
Check Price and Availability of SC12-0445, 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 SC12-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC12-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC12-0445
  • 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 SC12-0445 available by request