C999-0313 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(3-fluorophenyl)propanamide

C999-0313 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(3-fluorophenyl)propanamide
C999-0313 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(3-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0313
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-(3-fluorophenyl)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

C999-0313

Molecular Formula

C22H27FN4O (C22 H27 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(Nc3cccc(F)c3)=O)c(C)nc12

InChI

InChI=1S/C22H27FN4O/c1-13-18(10-11-19(28)25-17-9-7-8-16(23)12-17)14(2)24-21-20(13)15(3)26-27(21)22(4,5)6/h7-9,12H,10-11H2,1-6H3,(H,25,28)

InChI Key

HMFAFJZAEYSMJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

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

4.135

Distribution Coefficient, logD

4.131

Water Solubility, LogSw

-4.55

Polar Surface Area

48.056

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C999-0313 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C999-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0313?
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What is the minimum amount of C999-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0313
  • 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 C999-0313 available by request