C618-0897 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C618-0897 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C618-0897 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0897
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

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

C618-0897

Molecular Formula

C23H30N4O3 (C23 H30 N4 O3)

Compound Name

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

CC1N(CCCNC(Cn2ncc3c2-c(cc(C)cc2)c2OC3=O)=O)C(C)CCC1

InChI

InChI=1S/C23H30N4O3/c1-15-8-9-20-18(12-15)22-19(23(29)30-20)13-25-27(22)14-21(28)24-10-5-11-26-16(2)6-4-7-17(26)3/h8-9,12-13,16-17H,4-7,10-11,14H2,1-3H3,(H,24,28)

InChI Key

NPMVAMSPXLHZEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

-0.597

Water Solubility, LogSw

-3.01

Polar Surface Area

61.309

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

C618-0897 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others

References: we are preparing a list of scientific research reports with C618-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0897?
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What is the minimum amount of C618-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0897
  • 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 C618-0897 available by request