8016-8691 Screening compound: (3-amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl)(4-chlorophenyl)methanone

8016-8691 Screening compound: (3-amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl)(4-chlorophenyl)methanone
8016-8691 Screening compound: (3-amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl)(4-chlorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8691
(3-amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl)(4-chlorophenyl)methanone

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

8016-8691

Molecular Formula

C15H13ClN4O (C15 H13 ClN4 O)

Compound Name

(3-amino-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-1-yl)(4-chlorophenyl)methanone

IUPAC name

1-(4-chlorobenzoyl)-46-dimethyl-1H-pyrazolo[34-b]pyridin-3-amine

SMILES

Cc1c(c(N)nn2C(c(cc3)ccc3Cl)=O)c2nc(C)c1

InChI

InChI=1S/C15H13ClN4O/c1-8-7-9(2)18-14-12(8)13(17)19-20(14)15(21)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H2,17,19)

InChI Key

OUGOMNFZXABUBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.31

Polar Surface Area

56.756

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8016-8691 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8016-8691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8691?
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What is the minimum amount of 8016-8691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8691
  • 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 8016-8691 available by request