6481-5204 Screening compound: ethyl 4,5-dimethyl-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate

6481-5204 Screening compound: ethyl 4,5-dimethyl-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate
6481-5204 Screening compound: ethyl 4,5-dimethyl-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-5204
ethyl 4,5-dimethyl-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate

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

6481-5204

Molecular Formula

C22H21N5O4S2 (C22 H21 N5 O4 S2)

Compound Name

ethyl 4,5-dimethyl-2-[2-({4-oxo-5-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate

IUPAC name

ethyl 45-dimethyl-2-[2-({4-oxo-5-phenyl-1H4H5H-pyrazolo[34-d]pyrimidin-6-yl}sulfanyl)acetamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSC(N2c3ccccc3)=Nc([nH]nc3)c3C2=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C22H21N5O4S2/c1-4-31-21(30)17-12(2)13(3)33-19(17)24-16(28)11-32-22-25-18-15(10-23-26-18)20(29)27(22)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,23,26)(H,24,28)

InChI Key

RGOXJJOCXYEXJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

1.337

Water Solubility, LogSw

-3.24

Polar Surface Area

93.124

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6481-5204 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6481-5204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-5204?
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What is the minimum amount of 6481-5204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-5204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-5204
  • 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 6481-5204 available by request