C097-0359 Screening compound: 3-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-(2,5-dimethylphenyl)urea

C097-0359 Screening compound: 3-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-(2,5-dimethylphenyl)urea
C097-0359 Screening compound: 3-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-(2,5-dimethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0359
3-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-(2,5-dimethylphenyl)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

C097-0359

Molecular Formula

C17H13Cl2F3N2O3 (C17 H13 Cl2 F3 N2 O3)

Compound Name

3-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-(2,5-dimethylphenyl)urea

IUPAC name

3-[56-dichloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]-1-(25-dimethylphenyl)urea

SMILES

Cc1cc(NC(NC(C(F)(F)F)(Oc2c3)Oc2cc(Cl)c3Cl)=O)c(C)cc1

InChI

InChI=1S/C17H13Cl2F3N2O3/c1-8-3-4-9(2)12(5-8)23-15(25)24-17(16(20,21)22)26-13-6-10(18)11(19)7-14(13)27-17/h3-7H,1-2H3,(H2,23,24,25)

InChI Key

VFFYBRLHMKCHAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-5.93

Polar Surface Area

46.935

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with C097-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0359?
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What is the minimum amount of C097-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0359
  • 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 C097-0359 available by request