C533-1048 Screening compound: N-(2,5-diethoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-1048 Screening compound: N-(2,5-diethoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-1048 Screening compound: N-(2,5-diethoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1048
N-(2,5-diethoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-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

C533-1048

Molecular Formula

C22H29NO5 (C22 H29 NO5)

Compound Name

N-(2,5-diethoxyphenyl)-3,8-dimethyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

n/a

SMILES

CCOc(cc1)cc(NC(C(C2(CCC(C)CC2)O2)=C(C)C2=O)=O)c1OCC

InChI

InChI=1S/C22H29NO5/c1-5-26-16-7-8-18(27-6-2)17(13-16)23-20(24)19-15(4)21(25)28-22(19)11-9-14(3)10-12-22/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,23,24)

InChI Key

CPFWSPQINVMDJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.33

Polar Surface Area

57.791

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

References: we are preparing a list of scientific research reports with C533-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1048?
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What is the minimum amount of C533-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1048
  • 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 C533-1048 available by request