C999-0352 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(1-phenylethyl)propanamide

C999-0352 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(1-phenylethyl)propanamide
C999-0352 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0352
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(1-phenylethyl)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

C999-0352

Molecular Formula

C24H32N4O (C24 H32 N4 O)

Compound Name

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

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-(1-phenylethyl)propanamide

SMILES

CC(c1ccccc1)NC(CCc1c(C)nc2n(C(C)(C)C)nc(C)c2c1C)=O

InChI

InChI=1S/C24H32N4O/c1-15-20(13-14-21(29)25-16(2)19-11-9-8-10-12-19)17(3)26-23-22(15)18(4)27-28(23)24(5,6)7/h8-12,16H,13-14H2,1-7H3,(H,25,29)/t16-/m0/s1

InChI Key

PSKZBUZRPCDHFD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14809866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.42

Polar Surface Area

48.541

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C999-0352 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 C999-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0352?
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What is the minimum amount of C999-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0352
  • 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 C999-0352 available by request