Y509-5706 Screening compound: 2-(cyclohexylamino)-2-oxoethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate

Y509-5706 Screening compound: 2-(cyclohexylamino)-2-oxoethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate
Y509-5706 Screening compound: 2-(cyclohexylamino)-2-oxoethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-5706
2-(cyclohexylamino)-2-oxoethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate

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

Y509-5706

Molecular Formula

C13H17F2N3O3 (C13 H17 F2 N3 O3)

Compound Name

2-(cyclohexylamino)-2-oxoethyl 1-(difluoromethyl)-1H-pyrazole-5-carboxylate

IUPAC name

n/a

SMILES

O=C(COC(c1ccnn1C(F)F)=O)NC1CCCCC1

InChI

InChI=1S/C13H17F2N3O3/c14-13(15)18-10(6-7-16-18)12(20)21-8-11(19)17-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2,(H,17,19)

InChI Key

HBGMZCCPNLUOOI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.139

Distribution Coefficient, logD

1.139

Water Solubility, LogSw

-1.82

Polar Surface Area

58.043

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

References: we are preparing a list of scientific research reports with Y509-5706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-5706?
Check Price and Availability of Y509-5706, 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 Y509-5706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-5706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-5706
  • 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 Y509-5706 available by request