C987-0095 Screening compound: N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide

C987-0095 Screening compound: N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide
C987-0095 Screening compound: N-[3-(2-oxopyrrolidin-1-yl)propyl]-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 C987-0095
N-[3-(2-oxopyrrolidin-1-yl)propyl]-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

C987-0095

Molecular Formula

C26H33N5O2 (C26 H33 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c(C)c(CCC(NCCCN(CCC2)C2=O)=O)c(C)nc11)nn1-c1ccc(C)cc1

InChI

InChI=1S/C26H33N5O2/c1-17-8-10-21(11-9-17)31-26-25(20(4)29-31)18(2)22(19(3)28-26)12-13-23(32)27-14-6-16-30-15-5-7-24(30)33/h8-11H,5-7,12-16H2,1-4H3,(H,27,32)

InChI Key

AXRBXAMTRNGXBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.321

Water Solubility, LogSw

-2.94

Polar Surface Area

65.765

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C987-0095 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C987-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C987-0095?
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What is the minimum amount of C987-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C987-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C987-0095
  • 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 C987-0095 available by request