C999-0350 Screening compound: ethyl 4-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate

C999-0350 Screening compound: ethyl 4-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate
C999-0350 Screening compound: ethyl 4-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C999-0350
ethyl 4-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzoate

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

C999-0350

Molecular Formula

C25H32N4O3 (C25 H32 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CCc1c(C)nc2n(C(C)(C)C)nc(C)c2c1C)=O)=O

InChI

InChI=1S/C25H32N4O3/c1-8-32-24(31)18-9-11-19(12-10-18)27-21(30)14-13-20-15(2)22-17(4)28-29(25(5,6)7)23(22)26-16(20)3/h9-12H,8,13-14H2,1-7H3,(H,27,30)

InChI Key

OPXYDJFEXMMUFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.58

Polar Surface Area

68.809

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C999-0350 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Purinergic Library (3321 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C999-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C999-0350?
Check Price and Availability of C999-0350, 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 C999-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C999-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C999-0350
  • 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 C999-0350 available by request