Y503-4575 Screening compound: 3-[3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl]phenyl methyl ether

Y503-4575 Screening compound: 3-[3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl]phenyl methyl ether
Y503-4575 Screening compound: 3-[3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound Y503-4575
3-[3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl]phenyl methyl ether

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

Y503-4575

Molecular Formula

C18H17F2N3O (C18 H17 F2 N3 O)

Compound Name

3-[3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl]phenyl methyl ether

IUPAC name

3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[34-b]pyridine

SMILES

Cn1nc(C2CC2)c2c(C(F)F)cc(-c3cc(OC)ccc3)nc12

InChI

InChI=1S/C18H17F2N3O/c1-23-18-15(16(22-23)10-6-7-10)13(17(19)20)9-14(21-18)11-4-3-5-12(8-11)24-2/h3-5,8-10,17H,6-7H2,1-2H3

InChI Key

XTDDUTMJMWJBDO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.73

Polar Surface Area

31.773

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y503-4575 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 Y503-4575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y503-4575?
Check Price and Availability of Y503-4575, 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 Y503-4575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y503-4575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y503-4575
  • 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 Y503-4575 available by request