J013-1693 Screening compound: 1-(4-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J013-1693 Screening compound: 1-(4-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J013-1693 Screening compound: 1-(4-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J013-1693
1-(4-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-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

J013-1693

Molecular Formula

C21H17ClFN3O3 (C21 H17 ClFN3 O3)

Compound Name

1-(4-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(4-chlorophenyl)-4-(4-fluoro-3-methoxybenzoyl)-3-methyl-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

Cc(c(C(C1)C(c(cc2)cc(OC)c2F)=O)c2NC1=O)nn2-c(cc1)ccc1Cl

InChI

InChI=1S/C21H17ClFN3O3/c1-11-19-15(20(28)12-3-8-16(23)17(9-12)29-2)10-18(27)24-21(19)26(25-11)14-6-4-13(22)5-7-14/h3-9,15H,10H2,1-2H3,(H,24,27)/t15-/m0/s1

InChI Key

YURAJCDHNJUKFD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27217233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.03

Polar Surface Area

60.460

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with J013-1693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J013-1693?
Check Price and Availability of J013-1693, 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 J013-1693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J013-1693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J013-1693
  • 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 J013-1693 available by request