Y504-7551 Screening compound: 1-(4-chlorobenzyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

Y504-7551 Screening compound: 1-(4-chlorobenzyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
Y504-7551 Screening compound: 1-(4-chlorobenzyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-7551
1-(4-chlorobenzyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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

Y504-7551

Molecular Formula

C23H17ClF3N3O2 (C23 H17 ClF3 N3 O2)

Compound Name

1-(4-chlorobenzyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

IUPAC name

1-[(4-chlorophenyl)methyl]-6-(23-dihydro-14-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[34-b]pyridine

SMILES

Cc1nn(Cc(cc2)ccc2Cl)c2nc(-c(cc3)cc4c3OCCO4)cc(C(F)(F)F)c12

InChI

InChI=1S/C23H17ClF3N3O2/c1-13-21-17(23(25,26)27)11-18(15-4-7-19-20(10-15)32-9-8-31-19)28-22(21)30(29-13)12-14-2-5-16(24)6-3-14/h2-7,10-11H,8-9,12H2,1H3

InChI Key

BGZAXBQMEGSQHG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.221

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.68

Polar Surface Area

39.050

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with Y504-7551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-7551?
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What is the minimum amount of Y504-7551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-7551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-7551
  • 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 Y504-7551 available by request