7999-0659 Screening compound: 1,3-diphenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

7999-0659 Screening compound: 1,3-diphenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
7999-0659 Screening compound: 1,3-diphenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7999-0659
1,3-diphenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-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

7999-0659

Molecular Formula

C27H21N3O2 (C27 H21 N3 O2)

Compound Name

1,3-diphenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

IUPAC name

13-diphenyl-4-[4-(prop-2-yn-1-yloxy)phenyl]-1H4H5H6H7H-pyrazolo[34-b]pyridin-6-one

SMILES

C#CCOc1ccc(C(CC(N2)=O)c3c2n(-c2ccccc2)nc3-c2ccccc2)cc1

InChI

InChI=1S/C27H21N3O2/c1-2-17-32-22-15-13-19(14-16-22)23-18-24(31)28-27-25(23)26(20-9-5-3-6-10-20)29-30(27)21-11-7-4-8-12-21/h1,3-16,23H,17-18H2,(H,28,31)/t23-/m0/s1

InChI Key

DHFIHOFAHJLYDH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD09655129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.43

Polar Surface Area

46.431

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

7999-0659 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7999-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7999-0659?
Check Price and Availability of 7999-0659, 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 7999-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7999-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7999-0659
  • 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 7999-0659 available by request