C200-8239 Screening compound: 4-methoxy-3-{[7-methyl-4-(4-methylbenzyl)-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]methyl}benzaldehyde

C200-8239 Screening compound: 4-methoxy-3-{[7-methyl-4-(4-methylbenzyl)-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]methyl}benzaldehyde
C200-8239 Screening compound: 4-methoxy-3-{[7-methyl-4-(4-methylbenzyl)-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]methyl}benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8239
4-methoxy-3-{[7-methyl-4-(4-methylbenzyl)-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]methyl}benzaldehyde

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

C200-8239

Molecular Formula

C24H22N6O4 (C24 H22 N6 O4)

Compound Name

4-methoxy-3-{[7-methyl-4-(4-methylbenzyl)-1,5-dioxo-5,7-dihydro-1H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl]methyl}benzaldehyde

IUPAC name

4-methoxy-3-({4-methyl-8-[(4-methylphenyl)methyl]-712-dioxo-14581011-hexaazatricyclo[7.3.0.0^{26}]dodeca-259-trien-11-yl}methyl)benzaldehyde

SMILES

Cc1ccc(CN(C(N2c3cn(C)nc33)=NN(Cc(cc(C=O)cc4)c4OC)C2=O)C3=O)cc1

InChI

InChI=1S/C24H22N6O4/c1-15-4-6-16(7-5-15)11-28-22(32)21-19(13-27(2)25-21)30-23(28)26-29(24(30)33)12-18-10-17(14-31)8-9-20(18)34-3/h4-10,13-14H,11-12H2,1-3H3

InChI Key

CGMCYNAQCGOVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-2.65

Polar Surface Area

85.171

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C200-8239 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C200-8239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8239?
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What is the minimum amount of C200-8239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8239
  • 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 C200-8239 available by request