C097-0093 Screening compound: 3-[3-(propan-2-yloxy)propyl]-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

C097-0093 Screening compound: 3-[3-(propan-2-yloxy)propyl]-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
C097-0093 Screening compound: 3-[3-(propan-2-yloxy)propyl]-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0093
3-[3-(propan-2-yloxy)propyl]-1-[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

C097-0093

Molecular Formula

C15H19F3N2O4 (C15 H19 F3 N2 O4)

Compound Name

3-[3-(propan-2-yloxy)propyl]-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

IUPAC name

3-[3-(propan-2-yloxy)propyl]-1-[2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]urea

SMILES

CC(C)OCCCNC(NC1(C(F)(F)F)Oc(cccc2)c2O1)=O

InChI

InChI=1S/C15H19F3N2O4/c1-10(2)22-9-5-8-19-13(21)20-15(14(16,17)18)23-11-6-3-4-7-12(11)24-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,19,20,21)

InChI Key

ZSDWULCZWOLZAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-3.24

Polar Surface Area

56.269

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with C097-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0093?
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What is the minimum amount of C097-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0093
  • 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 C097-0093 available by request