C990-0015 Screening compound: 3-(3,4-diethoxyphenyl)-2,5-dimethyl-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrazolo[1,5-a]pyrimidin-7-ol

C990-0015 Screening compound: 3-(3,4-diethoxyphenyl)-2,5-dimethyl-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrazolo[1,5-a]pyrimidin-7-ol
C990-0015 Screening compound: 3-(3,4-diethoxyphenyl)-2,5-dimethyl-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrazolo[1,5-a]pyrimidin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C990-0015
3-(3,4-diethoxyphenyl)-2,5-dimethyl-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrazolo[1,5-a]pyrimidin-7-ol

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

C990-0015

Molecular Formula

C27H30N4O3 (C27 H30 N4 O3)

Compound Name

3-(3,4-diethoxyphenyl)-2,5-dimethyl-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrazolo[1,5-a]pyrimidin-7-ol

IUPAC name

3-(34-diethoxyphenyl)-25-dimethyl-6-(1234-tetrahydroisoquinolin-2-yl)pyrazolo[15-a]pyrimidin-7-ol

SMILES

CCOc(ccc(-c(c(C)nn12)c2nc(C)c(N(CC2)Cc3c2cccc3)c1O)c1)c1OCC

InChI

InChI=1S/C27H30N4O3/c1-5-33-22-12-11-20(15-23(22)34-6-2)24-17(3)29-31-26(24)28-18(4)25(27(31)32)30-14-13-19-9-7-8-10-21(19)16-30/h7-12,15,32H,5-6,13-14,16H2,1-4H3

InChI Key

XGGKQXAZZAXDPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.628

Water Solubility, LogSw

-4.11

Polar Surface Area

53.209

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C990-0015 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C990-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C990-0015?
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What is the minimum amount of C990-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C990-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C990-0015
  • 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 C990-0015 available by request