C097-0025 Screening compound: N-(2-methoxyphenyl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

C097-0025 Screening compound: N-(2-methoxyphenyl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
C097-0025 Screening compound: N-(2-methoxyphenyl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0025
N-(2-methoxyphenyl)-N'-[2-(trifluoromethyl)-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

C097-0025

Molecular Formula

C16H13F3N2O4 (C16 H13 F3 N2 O4)

Compound Name

N-(2-methoxyphenyl)-N'-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

IUPAC name

1-(2-methoxyphenyl)-3-[2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]urea

SMILES

COc(cccc1)c1NC(NC1(C(F)(F)F)Oc(cccc2)c2O1)=O

InChI

InChI=1S/C16H13F3N2O4/c1-23-11-7-3-2-6-10(11)20-14(22)21-16(15(17,18)19)24-12-8-4-5-9-13(12)25-16/h2-9H,1H3,(H2,20,21,22)

InChI Key

BXMMXWKDPSEQKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03620846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-4.27

Polar Surface Area

54.565

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C097-0025 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C097-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0025?
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What is the minimum amount of C097-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0025
  • 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 C097-0025 available by request