Y509-0335 Screening compound: 4-[(Z)-1-(5-bromo-3-iodo-2-isopropoxyphenyl)methylidene]-3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-one

Y509-0335 Screening compound: 4-[(Z)-1-(5-bromo-3-iodo-2-isopropoxyphenyl)methylidene]-3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-one
Y509-0335 Screening compound: 4-[(Z)-1-(5-bromo-3-iodo-2-isopropoxyphenyl)methylidene]-3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-0335
4-[(Z)-1-(5-bromo-3-iodo-2-isopropoxyphenyl)methylidene]-3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-one

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

Y509-0335

Molecular Formula

C21H17BrF3IN2O2 (C21 H17 BrF3 IN2 O2)

Compound Name

4-[(Z)-1-(5-bromo-3-iodo-2-isopropoxyphenyl)methylidene]-3-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-one

IUPAC name

n/a

SMILES

CC(C)Oc(c(/C=C(/C(C)=NN1c2cc(C(F)(F)F)ccc2)\C1=O)cc(Br)c1)c1I

InChI

InChI=1S/C21H17BrF3IN2O2/c1-11(2)30-19-13(7-15(22)10-18(19)26)8-17-12(3)27-28(20(17)29)16-6-4-5-14(9-16)21(23,24)25/h4-11H,1-3H3

InChI Key

GCTIOEZADXFDAW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.819

Distribution Coefficient, logD

6.819

Water Solubility, LogSw

-5.86

Polar Surface Area

32.563

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with Y509-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-0335?
Check Price and Availability of Y509-0335, 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 Y509-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-0335
  • 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 Y509-0335 available by request