C097-0023 Screening compound: 1-(3-nitrophenyl)-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

C097-0023 Screening compound: 1-(3-nitrophenyl)-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
C097-0023 Screening compound: 1-(3-nitrophenyl)-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0023
1-(3-nitrophenyl)-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

C097-0023

Molecular Formula

C15H10F3N3O5 (C15 H10 F3 N3 O5)

Compound Name

1-(3-nitrophenyl)-3-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

IUPAC name

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

SMILES

[O-][N+](c1cccc(NC(NC2(C(F)(F)F)Oc(cccc3)c3O2)=O)c1)=O

InChI

InChI=1S/C15H10F3N3O5/c16-14(17,18)15(25-11-6-1-2-7-12(11)26-15)20-13(22)19-9-4-3-5-10(8-9)21(23)24/h1-8H,(H2,19,20,22)

InChI Key

MOCRGCBLJCFLGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03620815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-4.42

Polar Surface Area

81.014

Acid Dissociation Constant (pKa)

6.95

Base Dissociation Constant (pKb)

-3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with C097-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0023?
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What is the minimum amount of C097-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0023
  • 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 C097-0023 available by request