G334-0553 Screening compound: 2-({[1-(4-ETHYLPHENYL)-3,4-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-6-YL]OXY}METHYL)BENZONITRILE

G334-0553 Screening compound: 2-({[1-(4-ETHYLPHENYL)-3,4-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-6-YL]OXY}METHYL)BENZONITRILE
G334-0553 Screening compound: 2-({[1-(4-ETHYLPHENYL)-3,4-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-6-YL]OXY}METHYL)BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound G334-0553
2-({[1-(4-ETHYLPHENYL)-3,4-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-6-YL]OXY}METHYL)BENZONITRILE

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

G334-0553

Molecular Formula

C24H22N4O (C24 H22 N4 O)

Compound Name

2-({[1-(4-ETHYLPHENYL)-3,4-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-6-YL]OXY}METHYL)BENZONITRILE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1-n1nc(C)c(c(C)c2)c1nc2OCc(cccc1)c1C#N

InChI

InChI=1S/C24H22N4O/c1-4-18-9-11-21(12-10-18)28-24-23(17(3)27-28)16(2)13-22(26-24)29-15-20-8-6-5-7-19(20)14-25/h5-13H,4,15H2,1-3H3

InChI Key

RRUQOBIMCAMPTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.624

Distribution Coefficient, logD

5.624

Water Solubility, LogSw

-5.85

Polar Surface Area

47.818

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

G334-0553 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G334-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G334-0553?
Check Price and Availability of G334-0553, 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 G334-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G334-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G334-0553
  • 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 G334-0553 available by request