Y503-4329 Screening compound: [7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl](5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)methanone

Y503-4329 Screening compound: [7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl](5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)methanone
Y503-4329 Screening compound: [7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl](5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4329
[7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl](5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)methanone

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

Y503-4329

Molecular Formula

C20H15F6N3O3 (C20 H15 F6 N3 O3)

Compound Name

[7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl](5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)methanone

IUPAC name

7-(trifluoromethyl)-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-carbonyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine

SMILES

O=C(c1ccc(COc2cccc(C(F)(F)F)c2)o1)N(CC1)c2ccnn2C1C(F)(F)F

InChI

InChI=1S/C20H15F6N3O3/c21-19(22,23)12-2-1-3-13(10-12)31-11-14-4-5-15(32-14)18(30)28-9-7-16(20(24,25)26)29-17(28)6-8-27-29/h1-6,8,10,16H,7,9,11H2/t16-/m1/s1

InChI Key

IZKCODGSOFWROZ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.79

Polar Surface Area

43.356

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y503-4329 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y503-4329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4329?
Check Price and Availability of Y503-4329, 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 Y503-4329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4329
  • 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 Y503-4329 available by request