8009-5936 Screening compound: 1-(2,6-dichlorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea

8009-5936 Screening compound: 1-(2,6-dichlorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
8009-5936 Screening compound: 1-(2,6-dichlorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5936
1-(2,6-dichlorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-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

8009-5936

Molecular Formula

C11H8Cl2F6N2O (C11 H8 Cl2 F6 N2 O)

Compound Name

1-(2,6-dichlorophenyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea

IUPAC name

1-(26-dichlorophenyl)-3-(111333-hexafluoro-2-methylpropan-2-yl)urea

SMILES

CC(C(F)(F)F)(C(F)(F)F)NC(Nc(c(Cl)ccc1)c1Cl)=O

InChI

InChI=1S/C11H8Cl2F6N2O/c1-9(10(14,15)16,11(17,18)19)21-8(22)20-7-5(12)3-2-4-6(7)13/h2-4H,1H3,(H2,20,21,22)

InChI Key

RNWDJPBEUNOSAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.09

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.028

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-5.11

Polar Surface Area

31.941

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8009-5936 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-5936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5936?
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What is the minimum amount of 8009-5936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5936
  • 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 8009-5936 available by request