Y504-6953 Screening compound: ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

Y504-6953 Screening compound: ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate
Y504-6953 Screening compound: ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-6953
ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

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

Y504-6953

Molecular Formula

C22H23F2N3O4 (C22 H23 F2 N3 O4)

Compound Name

ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetate

IUPAC name

ethyl 2-[3-cyclopropyl-4-(difluoromethyl)-6-(34-dimethoxyphenyl)-1H-pyrazolo[34-b]pyridin-1-yl]acetate

SMILES

CCOC(Cn1nc(C2CC2)c2c(C(F)F)cc(-c(cc3)cc(OC)c3OC)nc12)=O

InChI

InChI=1S/C22H23F2N3O4/c1-4-31-18(28)11-27-22-19(20(26-27)12-5-6-12)14(21(23)24)10-15(25-22)13-7-8-16(29-2)17(9-13)30-3/h7-10,12,21H,4-6,11H2,1-3H3

InChI Key

SEFJLDDUKHZDHP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.61

Polar Surface Area

59.363

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with Y504-6953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-6953?
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What is the minimum amount of Y504-6953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-6953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-6953
  • 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 Y504-6953 available by request