C097-0115 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

C097-0115 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
C097-0115 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0115
1-[2-(morpholin-4-yl)ethyl]-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]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

C097-0115

Molecular Formula

C15H18F3N3O4 (C15 H18 F3 N3 O4)

Compound Name

1-[2-(morpholin-4-yl)ethyl]-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

IUPAC name

1-[2-(morpholin-4-yl)ethyl]-3-[2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]urea

SMILES

O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc(cccc2)c2O1

InChI

InChI=1S/C15H18F3N3O4/c16-14(17,18)15(24-11-3-1-2-4-12(11)25-15)20-13(22)19-5-6-21-7-9-23-10-8-21/h1-4H,5-10H2,(H2,19,20,22)

InChI Key

FCHZCTGNJJDKCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.498

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-1.90

Polar Surface Area

60.688

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

C097-0115 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C097-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0115?
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What is the minimum amount of C097-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0115
  • 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 C097-0115 available by request