C999-0298 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-cycloheptylpropanamide

C999-0298 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-cycloheptylpropanamide
C999-0298 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-cycloheptylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0298
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-cycloheptylpropanamide

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

C999-0298

Molecular Formula

C23H36N4O (C23 H36 N4 O)

Compound Name

3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-cycloheptylpropanamide

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-cycloheptylpropanamide

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(NC3CCCCCC3)=O)c(C)nc12

InChI

InChI=1S/C23H36N4O/c1-15-19(13-14-20(28)25-18-11-9-7-8-10-12-18)16(2)24-22-21(15)17(3)26-27(22)23(4,5)6/h18H,7-14H2,1-6H3,(H,25,28)

InChI Key

UCEDVRYCOHYDSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.57

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

4.522

Distribution Coefficient, logD

4.519

Water Solubility, LogSw

-4.44

Polar Surface Area

49.434

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

C999-0298 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C999-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0298?
Check Price and Availability of C999-0298, 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 C999-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0298
  • 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 C999-0298 available by request