C798-0521 Screening compound: N-cyclohexyl-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

C798-0521 Screening compound: N-cyclohexyl-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide
C798-0521 Screening compound: N-cyclohexyl-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 C798-0521
N-cyclohexyl-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

C798-0521

Molecular Formula

C24H31NO4 (C24 H31 NO4)

Compound Name

N-cyclohexyl-9'-hydroxy-1'-methyl-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f]chromene]-2'-carboxamide

IUPAC name

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

SMILES

Cc1c(C(NC2CCCCC2)=O)oc(cc2)c1c1c2OC2(CCCCC2)CC1O

InChI

InChI=1S/C24H31NO4/c1-15-20-18(28-22(15)23(27)25-16-8-4-2-5-9-16)10-11-19-21(20)17(26)14-24(29-19)12-6-3-7-13-24/h10-11,16-17,26H,2-9,12-14H2,1H3,(H,25,27)/t17-/m0/s1

InChI Key

VVZZTVKYVLKLQY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14799055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.010

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-4.65

Polar Surface Area

54.255

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

C798-0521 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 C798-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0521?
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What is the minimum amount of C798-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0521
  • 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 C798-0521 available by request