C798-0533 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

C798-0533 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
C798-0533 Screening compound: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0533
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

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

C798-0533

Molecular Formula

C28H40N2O4 (C28 H40 N2 O4)

Compound Name

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

IUPAC name

N-[3-(26-dimethylpiperidin-1-yl)propyl]-13'-hydroxy-3'-methyl-5'10'-dioxaspiro[cyclohexane-111'-tricyclo[7.4.0.0^{26}]tridecane]-1'3'6'8'-tetraene-4'-carboxamide

SMILES

CC1N(CCCNC(c2c(C)c(c3c(cc4)OC5(CCCCC5)CC3O)c4o2)=O)C(C)CCC1

InChI

InChI=1S/C28H40N2O4/c1-18-9-7-10-19(2)30(18)16-8-15-29-27(32)26-20(3)24-22(33-26)11-12-23-25(24)21(31)17-28(34-23)13-5-4-6-14-28/h11-12,18-19,21,31H,4-10,13-17H2,1-3H3,(H,29,32)

InChI Key

QTJSTJWVVPXYCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

1.461

Water Solubility, LogSw

-4.27

Polar Surface Area

56.908

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

10.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

67.90

C798-0533 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C798-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0533?
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What is the minimum amount of C798-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0533
  • 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 C798-0533 available by request