1500-0196 Screening compound: N,N'-bis[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]urea

1500-0196 Screening compound: N,N'-bis[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]urea
1500-0196 Screening compound: N,N'-bis[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1500-0196
N,N'-bis[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]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

1500-0196

Molecular Formula

C17H12Cl6F2N2O (C17 H12 Cl6 F2 N2 O)

Compound Name

N,N'-bis[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]urea

IUPAC name

13-bis[222-trichloro-1-(4-fluorophenyl)ethyl]urea

SMILES

O=C(NC(C(Cl)(Cl)Cl)c(cc1)ccc1F)NC(C(Cl)(Cl)Cl)c(cc1)ccc1F

InChI

InChI=1S/C17H12Cl6F2N2O/c18-16(19,20)13(9-1-5-11(24)6-2-9)26-15(28)27-14(17(21,22)23)10-3-7-12(25)8-4-10/h1-8,13-14H,(H2,26,27,28)

InChI Key

PIQQZJPEODXDBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00761850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.01

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.973

Distribution Coefficient, logD

5.969

Water Solubility, LogSw

-6.59

Polar Surface Area

33.890

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

-8.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with 1500-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1500-0196?
Check Price and Availability of 1500-0196, 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 1500-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1500-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1500-0196
  • 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 1500-0196 available by request