J013-0557 Screening compound: 1-(3,5-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-0557 Screening compound: 1-(3,5-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-0557 Screening compound: 1-(3,5-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-0557
1-(3,5-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

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

J013-0557

Molecular Formula

C26H23N3O2 (C26 H23 N3 O2)

Compound Name

1-(3,5-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(35-dimethylphenyl)-3-methyl-4-(naphthalene-1-carbonyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c2cccc3ccccc23)=O)c2NC1=O)nn2-c1cc(C)cc(C)c1

InChI

InChI=1S/C26H23N3O2/c1-15-11-16(2)13-19(12-15)29-26-24(17(3)28-29)22(14-23(30)27-26)25(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-13,22H,14H2,1-3H3,(H,27,30)/t22-/m0/s1

InChI Key

VLJSRIUYYWEDCQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27216977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-5.01

Polar Surface Area

52.558

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with J013-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-0557?
Check Price and Availability of J013-0557, 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 J013-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-0557
  • 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 J013-0557 available by request