C618-0909 Screening compound: N-(2,3-dimethylcyclohexyl)-N-[(furan-2-yl)methyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C618-0909 Screening compound: N-(2,3-dimethylcyclohexyl)-N-[(furan-2-yl)methyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C618-0909 Screening compound: N-(2,3-dimethylcyclohexyl)-N-[(furan-2-yl)methyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C618-0909
N-(2,3-dimethylcyclohexyl)-N-[(furan-2-yl)methyl]-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

C618-0909

Molecular Formula

C26H29N3O4 (C26 H29 N3 O4)

Compound Name

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

IUPAC name

N-(23-dimethylcyclohexyl)-N-[(furan-2-yl)methyl]-2-{8-methyl-4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

CC(CCC1)C(C)C1N(Cc1ccco1)C(Cn1ncc2c1-c(cc(C)cc1)c1OC2=O)=O

InChI

InChI=1S/C26H29N3O4/c1-16-9-10-23-20(12-16)25-21(26(31)33-23)13-27-29(25)15-24(30)28(14-19-7-5-11-32-19)22-8-4-6-17(2)18(22)3/h5,7,9-13,17-18,22H,4,6,8,14-15H2,1-3H3

InChI Key

OXHYETYIZIKYIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.040

Water Solubility, LogSw

-4.04

Polar Surface Area

56.601

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.30

C618-0909 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C618-0909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C618-0909?
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What is the minimum amount of C618-0909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C618-0909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C618-0909
  • 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 C618-0909 available by request