K402-0373 Screening compound: 1,3-dimethyl 5-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzene-1,3-dicarboxylate

K402-0373 Screening compound: 1,3-dimethyl 5-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzene-1,3-dicarboxylate
K402-0373 Screening compound: 1,3-dimethyl 5-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K402-0373
1,3-dimethyl 5-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)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

K402-0373

Molecular Formula

C21H17N5O4 (C21 H17 N5 O4)

Compound Name

1,3-dimethyl 5-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-({1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}amino)benzene-13-dicarboxylate

SMILES

COC(c1cc(C(OC)=O)cc(Nc2ncnc3c2cnn3-c2ccccc2)c1)=O

InChI

InChI=1S/C21H17N5O4/c1-29-20(27)13-8-14(21(28)30-2)10-15(9-13)25-18-17-11-24-26(19(17)23-12-22-18)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23,25)

InChI Key

REBUVGIUWMZHDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.29

Polar Surface Area

86.375

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K402-0373 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Nucleoside Mimetics Library (2197 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K402-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K402-0373?
Check Price and Availability of K402-0373, 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 K402-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K402-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K402-0373
  • 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 K402-0373 available by request