C987-0079 Screening compound: N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C987-0079 Screening compound: N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C987-0079 Screening compound: N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C987-0079
N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

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

C987-0079

Molecular Formula

C25H35N5O (C25 H35 N5 O)

Compound Name

N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

IUPAC name

N-[2-(diethylamino)ethyl]-3-[346-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[34-b]pyridin-5-yl]propanamide

SMILES

CCN(CC)CCNC(CCc1c(C)nc2n(-c3ccc(C)cc3)nc(C)c2c1C)=O

InChI

InChI=1S/C25H35N5O/c1-7-29(8-2)16-15-26-23(31)14-13-22-18(4)24-20(6)28-30(25(24)27-19(22)5)21-11-9-17(3)10-12-21/h9-12H,7-8,13-16H2,1-6H3,(H,26,31)

InChI Key

CRZGIBBJIJHGEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-4.13

Polar Surface Area

51.935

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

9.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C987-0079 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C987-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0079?
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What is the minimum amount of C987-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0079
  • 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 C987-0079 available by request