C561-2761 Screening compound: ethyl 2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl]formamido}propanoate

C561-2761 Screening compound: ethyl 2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl]formamido}propanoate
C561-2761 Screening compound: ethyl 2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl]formamido}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2761
ethyl 2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl]formamido}propanoate

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

C561-2761

Molecular Formula

C20H21ClN4O3 (C20 H21 ClN4 O3)

Compound Name

ethyl 2-{[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl]formamido}propanoate

IUPAC name

ethyl 2-{[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridin-4-yl]formamido}propanoate

SMILES

CCOC(C(C)NC(c1c(c(C)nn2-c(cccc3)c3Cl)c2nc(C)c1)=O)=O

InChI

InChI=1S/C20H21ClN4O3/c1-5-28-20(27)13(4)23-19(26)14-10-11(2)22-18-17(14)12(3)24-25(18)16-9-7-6-8-15(16)21/h6-10,13H,5H2,1-4H3,(H,23,26)/t13-/m0/s1

InChI Key

KNEIPMRIIZSOAV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14771690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.66

Polar Surface Area

67.741

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C561-2761 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C561-2761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2761?
Check Price and Availability of C561-2761, 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 C561-2761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2761
  • 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 C561-2761 available by request