C612-1244 Screening compound: ethyl 7-(4-chlorophenyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

C612-1244 Screening compound: ethyl 7-(4-chlorophenyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
C612-1244 Screening compound: ethyl 7-(4-chlorophenyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1244
ethyl 7-(4-chlorophenyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-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

C612-1244

Molecular Formula

C25H29ClN4O5 (C25 H29 ClN4 O5)

Compound Name

ethyl 7-(4-chlorophenyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

IUPAC name

ethyl 7-(4-chlorophenyl)-3-[2-(234-trimethoxyphenyl)ethyl]-1H2H3H4H-pyrazolo[15-a][135]triazine-8-carboxylate

SMILES

CCOC(c1c(NCN(CCc(ccc(OC)c2OC)c2OC)C2)n2nc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H29ClN4O5/c1-5-35-25(31)20-21(16-6-9-18(26)10-7-16)28-30-15-29(14-27-24(20)30)13-12-17-8-11-19(32-2)23(34-4)22(17)33-3/h6-11,27H,5,12-15H2,1-4H3

InChI Key

DBRURSIRYDMBIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.199

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.81

Polar Surface Area

72.704

Acid Dissociation Constant (pKa)

18.12

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C612-1244 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C612-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1244?
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What is the minimum amount of C612-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1244
  • 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 C612-1244 available by request