C612-1191 Screening compound: methyl 3-(3-methoxybenzyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

C612-1191 Screening compound: methyl 3-(3-methoxybenzyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
C612-1191 Screening compound: methyl 3-(3-methoxybenzyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1191
methyl 3-(3-methoxybenzyl)-1,2,3,4-tetrahydropyrazolo[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

C612-1191

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

methyl 3-(3-methoxybenzyl)-1,2,3,4-tetrahydropyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

IUPAC name

methyl 3-[(3-methoxyphenyl)methyl]-1H2H3H4H-pyrazolo[15-a][135]triazine-8-carboxylate

SMILES

COC(c1c(NCN(Cc2cc(OC)ccc2)C2)n2nc1)=O

InChI

InChI=1S/C15H18N4O3/c1-21-12-5-3-4-11(6-12)8-18-9-16-14-13(15(20)22-2)7-17-19(14)10-18/h3-7,16H,8-10H2,1-2H3

InChI Key

NZIHJPUQYVOEIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.915

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-2.62

Polar Surface Area

57.350

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with C612-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1191?
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What is the minimum amount of C612-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1191
  • 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 C612-1191 available by request