C097-0088 Screening compound: 3-(butan-2-yl)-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea

C097-0088 Screening compound: 3-(butan-2-yl)-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
C097-0088 Screening compound: 3-(butan-2-yl)-1-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0088
3-(butan-2-yl)-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

C097-0088

Molecular Formula

C13H15F3N2O3 (C13 H15 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(NC1(C(F)(F)F)Oc(cccc2)c2O1)=O

InChI

InChI=1S/C13H15F3N2O3/c1-3-8(2)17-11(19)18-13(12(14,15)16)20-9-6-4-5-7-10(9)21-13/h4-8H,3H2,1-2H3,(H2,17,18,19)/t8-/m0/s1

InChI Key

GJUCOUNIDHEXQJ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD04413655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.44

Polar Surface Area

48.668

Acid Dissociation Constant (pKa)

7.76

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with C097-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0088?
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What is the minimum amount of C097-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0088
  • 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 C097-0088 available by request