3334-5223 Screening compound: 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-{3-[(2-methoxyphenyl)sulfamoyl]phenyl}urea

3334-5223 Screening compound: 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-{3-[(2-methoxyphenyl)sulfamoyl]phenyl}urea
3334-5223 Screening compound: 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-{3-[(2-methoxyphenyl)sulfamoyl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5223
3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-{3-[(2-methoxyphenyl)sulfamoyl]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

3334-5223

Molecular Formula

C22H17ClF3N3O6S (C22 H17 ClF3 N3 O6 S)

Compound Name

3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-{3-[(2-methoxyphenyl)sulfamoyl]phenyl}urea

IUPAC name

3-[5-chloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]-1-{3-[(2-methoxyphenyl)sulfamoyl]phenyl}urea

SMILES

COc(cccc1)c1NS(c1cccc(NC(NC2(C(F)(F)F)Oc(cc(cc3)Cl)c3O2)=O)c1)(=O)=O

InChI

InChI=1S/C22H17ClF3N3O6S/c1-33-17-8-3-2-7-16(17)29-36(31,32)15-6-4-5-14(12-15)27-20(30)28-22(21(24,25)26)34-18-10-9-13(23)11-19(18)35-22/h2-12,29H,1H3,(H2,27,28,30)/t22-/m0/s1

InChI Key

KAWDEICWGFTPSQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02250216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-5.82

Polar Surface Area

95.215

Acid Dissociation Constant (pKa)

6.41

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 3334-5223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5223?
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What is the minimum amount of 3334-5223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5223
  • 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 3334-5223 available by request