8001-3802 Screening compound: 3-(2-chloro-4,5-difluorophenyl)-1-cyclododecylurea

8001-3802 Screening compound: 3-(2-chloro-4,5-difluorophenyl)-1-cyclododecylurea
8001-3802 Screening compound: 3-(2-chloro-4,5-difluorophenyl)-1-cyclododecylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-3802
3-(2-chloro-4,5-difluorophenyl)-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

8001-3802

Molecular Formula

C19H27ClF2N2O (C19 H27 ClF2 N2 O)

Compound Name

3-(2-chloro-4,5-difluorophenyl)-1-cyclododecylurea

IUPAC name

3-(2-chloro-45-difluorophenyl)-1-cyclododecylurea

SMILES

O=C(NC1CCCCCCCCCCC1)Nc(cc(c(F)c1)F)c1Cl

InChI

InChI=1S/C19H27ClF2N2O/c20-15-12-16(21)17(22)13-18(15)24-19(25)23-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2,(H2,23,24,25)

InChI Key

KAIQEPNEKDHODN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00373037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.89

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.102

Distribution Coefficient, logD

7.081

Water Solubility, LogSw

-6.79

Polar Surface Area

33.222

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

References: we are preparing a list of scientific research reports with 8001-3802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-3802?
Check Price and Availability of 8001-3802, 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 8001-3802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-3802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-3802
  • 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 8001-3802 available by request