C561-2008 Screening compound: N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C561-2008 Screening compound: N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C561-2008 Screening compound: N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2008
N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

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

C561-2008

Molecular Formula

C31H29N7O (C31 H29 N7 O)

Compound Name

N-[2-(pyridin-3-yl)-1H-1,3-benzodiazol-6-yl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[2-(pyridin-3-yl)-1H-13-benzodiazol-6-yl]-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

Cc(c1c(C)c(CCC(Nc(cc2)cc3c2nc(-c2cnccc2)[nH]3)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C31H29N7O/c1-18-7-10-24(11-8-18)38-31-29(21(4)37-38)19(2)25(20(3)33-31)12-14-28(39)34-23-9-13-26-27(16-23)36-30(35-26)22-6-5-15-32-17-22/h5-11,13,15-17H,12,14H2,1-4H3,(H,34,39)(H,35,36)

InChI Key

MHWQQDZJEFFQAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-4.88

Polar Surface Area

75.626

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.40

C561-2008 in Drug Discovery

Included in Screening Libraries

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 C561-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2008?
Check Price and Availability of C561-2008, 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 C561-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2008
  • 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 C561-2008 available by request