CM4182-1618 Screening compound: 3-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-1-[2-(trifluoromethyl)phenyl]urea

CM4182-1618 Screening compound: 3-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-1-[2-(trifluoromethyl)phenyl]urea
CM4182-1618 Screening compound: 3-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-1-[2-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4182-1618
3-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-1-[2-(trifluoromethyl)phenyl]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

CM4182-1618

Molecular Formula

C17H22F3N3O3 (C17 H22 F3 N3 O3)

Compound Name

3-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-1-[2-(trifluoromethyl)phenyl]urea

IUPAC name

3-{[3-(morpholin-4-yl)oxolan-3-yl]methyl}-1-[2-(trifluoromethyl)phenyl]urea

SMILES

O=C(NCC1(COCC1)N1CCOCC1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C17H22F3N3O3/c18-17(19,20)13-3-1-2-4-14(13)22-15(24)21-11-16(5-8-26-12-16)23-6-9-25-10-7-23/h1-4H,5-12H2,(H2,21,22,24)/t16-/m1/s1

InChI Key

VQNIFAMPEUPKDI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD30466166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

1.976

Water Solubility, LogSw

-2.96

Polar Surface Area

53.080

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

CM4182-1618 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM4182-1618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4182-1618?
Check Price and Availability of CM4182-1618, 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 CM4182-1618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4182-1618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4182-1618
  • 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 CM4182-1618 available by request