C097-0256 Screening compound: 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-cyclododecylurea

C097-0256 Screening compound: 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-cyclododecylurea
C097-0256 Screening compound: 3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-cyclododecylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C097-0256
3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-cyclododecylurea

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

C097-0256

Molecular Formula

C21H28ClF3N2O3 (C21 H28 ClF3 N2 O3)

Compound Name

3-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-cyclododecylurea

IUPAC name

3-[5-chloro-2-(trifluoromethyl)-2H-13-benzodioxol-2-yl]-1-cyclododecylurea

SMILES

O=C(NC1CCCCCCCCCCC1)NC1(C(F)(F)F)Oc(cc(cc2)Cl)c2O1

InChI

InChI=1S/C21H28ClF3N2O3/c22-15-12-13-17-18(14-15)30-21(29-17,20(23,24)25)27-19(28)26-16-10-8-6-4-2-1-3-5-7-9-11-16/h12-14,16H,1-11H2,(H2,26,27,28)/t21-/m0/s1

InChI Key

GHTQYSKXIKDOMM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04413691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

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

7.361

Distribution Coefficient, logD

7.128

Water Solubility, LogSw

-6.68

Polar Surface Area

49.011

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with C097-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C097-0256?
Check Price and Availability of C097-0256, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C097-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C097-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C097-0256
  • 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 C097-0256 available by request