C200-6694 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-propylacetamide

C200-6694 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-propylacetamide
C200-6694 Screening compound: 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6694
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-propylacetamide

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

C200-6694

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-propylacetamide

IUPAC name

2-({6-[(2H-13-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-1H6H7H-pyrazolo[43-d]pyrimidin-5-yl}sulfanyl)-N-propylacetamide

SMILES

CCCNC(CSC(N(Cc(cc1)cc2c1OCO2)C1=O)=Nc2c1n(CC)nc2C)=O

InChI

InChI=1S/C21H25N5O4S/c1-4-8-22-17(27)11-31-21-23-18-13(3)24-26(5-2)19(18)20(28)25(21)10-14-6-7-15-16(9-14)30-12-29-15/h6-7,9H,4-5,8,10-12H2,1-3H3,(H,22,27)

InChI Key

CVLUFQBMMBODSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.71

Polar Surface Area

79.138

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C200-6694 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-6694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6694?
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What is the minimum amount of C200-6694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6694
  • 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 C200-6694 available by request