C999-0311 Screening compound: ethyl 1-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanoyl)piperidine-4-carboxylate

C999-0311 Screening compound: ethyl 1-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanoyl)piperidine-4-carboxylate
C999-0311 Screening compound: ethyl 1-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0311
ethyl 1-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanoyl)piperidine-4-carboxylate

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

C999-0311

Molecular Formula

C24H36N4O3 (C24 H36 N4 O3)

Compound Name

ethyl 1-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanoyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}propanoyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCc1c(C)nc2n(C(C)(C)C)nc(C)c2c1C)=O)=O

InChI

InChI=1S/C24H36N4O3/c1-8-31-23(30)18-11-13-27(14-12-18)20(29)10-9-19-15(2)21-17(4)26-28(24(5,6)7)22(21)25-16(19)3/h18H,8-14H2,1-7H3

InChI Key

MRFJNEHWLDYOHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.26

Polar Surface Area

62.052

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

C999-0311 in Drug Discovery

Included in Screening Libraries

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

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 C999-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0311?
Check Price and Availability of C999-0311, 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 C999-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0311
  • 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 C999-0311 available by request