C561-2153 Screening compound: 1,3-dimethyl 5-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzene-1,3-dicarboxylate

C561-2153 Screening compound: 1,3-dimethyl 5-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzene-1,3-dicarboxylate
C561-2153 Screening compound: 1,3-dimethyl 5-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-2153
1,3-dimethyl 5-(3-{1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanamido)benzene-1,3-dicarboxylate

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

C561-2153

Molecular Formula

C26H32N4O5 (C26 H32 N4 O5)

Compound Name

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

IUPAC name

13-dimethyl 5-(3-{1-tert-butyl-346-trimethyl-1H-pyrazolo[34-b]pyridin-5-yl}propanamido)benzene-13-dicarboxylate

SMILES

CC(C)(C)n1nc(C)c2c(C)c(CCC(Nc3cc(C(OC)=O)cc(C(OC)=O)c3)=O)c(C)nc12

InChI

InChI=1S/C26H32N4O5/c1-14-20(15(2)27-23-22(14)16(3)29-30(23)26(4,5)6)9-10-21(31)28-19-12-17(24(32)34-7)11-18(13-19)25(33)35-8/h11-13H,9-10H2,1-8H3,(H,28,31)

InChI Key

JOPKBLKKJIEPIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.58

Polar Surface Area

90.403

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C561-2153 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C561-2153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-2153?
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What is the minimum amount of C561-2153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-2153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-2153
  • 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 C561-2153 available by request