C200-6084 Screening compound: ethyl 3-(2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate

C200-6084 Screening compound: ethyl 3-(2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate
C200-6084 Screening compound: ethyl 3-(2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6084
ethyl 3-(2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)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

C200-6084

Molecular Formula

C26H27N5O5 (C26 H27 N5 O5)

Compound Name

ethyl 3-(2-{6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)benzoate

IUPAC name

ethyl 3-(2-{6-benzyl-1-ethyl-3-methyl-57-dioxo-1H4H5H6H7H-pyrazolo[43-d]pyrimidin-4-yl}acetamido)benzoate

SMILES

CCn1nc(C)c(N(CC(Nc2cc(C(OCC)=O)ccc2)=O)C(N2Cc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C26H27N5O5/c1-4-31-23-22(17(3)28-31)29(26(35)30(24(23)33)15-18-10-7-6-8-11-18)16-21(32)27-20-13-9-12-19(14-20)25(34)36-5-2/h6-14H,4-5,15-16H2,1-3H3,(H,27,32)

InChI Key

CFXQJBOGRRVZRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-3.93

Polar Surface Area

90.246

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

C200-6084 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 C200-6084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6084?
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What is the minimum amount of C200-6084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6084
  • 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 C200-6084 available by request