J012-1777 Screening compound: 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

J012-1777 Screening compound: 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
J012-1777 Screening compound: 1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J012-1777
1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-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

J012-1777

Molecular Formula

C19H16ClN3O3 (C19 H16 ClN3 O3)

Compound Name

1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

1-(3-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

COc(cc(C(CC(N1)=O)c2c1n(-c1cccc(Cl)c1)nc2)cc1)c1O

InChI

InChI=1S/C19H16ClN3O3/c1-26-17-7-11(5-6-16(17)24)14-9-18(25)22-19-15(14)10-21-23(19)13-4-2-3-12(20)8-13/h2-8,10,14,24H,9H2,1H3,(H,22,25)/t14-/m0/s1

InChI Key

ICKBBYRULJVWFK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27216694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.51

Polar Surface Area

62.917

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

J012-1777 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J012-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J012-1777?
Check Price and Availability of J012-1777, 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 J012-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J012-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J012-1777
  • 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 J012-1777 available by request