3335-0100 Screening compound: 3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole

3335-0100 Screening compound: 3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole
3335-0100 Screening compound: 3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0100
3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole

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

3335-0100

Molecular Formula

C18H11F5N2OS (C18 H11 F5 N2 OS)

Compound Name

3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole

IUPAC name

35-dimethyl-1-(23456-pentafluorobenzoyl)-4-(phenylsulfanyl)-1H-pyrazole

SMILES

Cc(n(C(c(c(F)c(c(F)c1F)F)c1F)=O)nc1C)c1Sc1ccccc1

InChI

InChI=1S/C18H11F5N2OS/c1-8-17(27-10-6-4-3-5-7-10)9(2)25(24-8)18(26)11-12(19)14(21)16(23)15(22)13(11)20/h3-7H,1-2H3

InChI Key

FIRXGSUUHZTMEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-4.50

Polar Surface Area

27.581

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3335-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0100?
Check Price and Availability of 3335-0100, 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 3335-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0100
  • 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 3335-0100 available by request