C999-0450 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

C999-0450 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
C999-0450 Screening compound: 3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0450
3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(3-methylthiophen-2-yl)ethyl]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

C999-0450

Molecular Formula

C23H32N4OS (C23 H32 N4 OS)

Compound Name

3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

IUPAC name

3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(NCCc3c(C)ccs3)=O)c(C)nc12

InChI

InChI=1S/C23H32N4OS/c1-14-11-13-29-19(14)10-12-24-20(28)9-8-18-15(2)21-17(4)26-27(23(5,6)7)22(21)25-16(18)3/h11,13H,8-10,12H2,1-7H3,(H,24,28)

InChI Key

ANKFZOVPHXDQKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.24

Polar Surface Area

50.238

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C999-0450 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 C999-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0450?
Check Price and Availability of C999-0450, 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 C999-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0450
  • 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 C999-0450 available by request