Y501-9716 Screening compound: 5-(4-chlorophenyl)-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide

Y501-9716 Screening compound: 5-(4-chlorophenyl)-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide
Y501-9716 Screening compound: 5-(4-chlorophenyl)-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9716
5-(4-chlorophenyl)-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide

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

Y501-9716

Molecular Formula

C14H11ClF2N4 (C14 H11 ClF2 N4)

Compound Name

5-(4-chlorophenyl)-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl cyanide

IUPAC name

5-(4-chlorophenyl)-7-(difluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonitrile

SMILES

N#Cc1c(NC(CC2C(F)F)c(cc3)ccc3Cl)n2nc1

InChI

InChI=1S/C14H11ClF2N4/c15-10-3-1-8(2-4-10)11-5-12(13(16)17)21-14(20-11)9(6-18)7-19-21/h1-4,7,11-13,20H,5H2

InChI Key

ZQODBIGFZWPWRS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.72

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.98

Polar Surface Area

42.570

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y501-9716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9716?
Check Price and Availability of Y501-9716, 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 Y501-9716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9716
  • 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 Y501-9716 available by request