N002-0031 Screening compound: {3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-[(Z)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]oxan-2-yl}methyl 2,2-dimethylpropanoate

N002-0031 Screening compound: {3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-[(Z)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]oxan-2-yl}methyl 2,2-dimethylpropanoate
N002-0031 Screening compound: {3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-[(Z)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]oxan-2-yl}methyl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound N002-0031
{3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-[(Z)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]oxan-2-yl}methyl 2,2-dimethylpropanoate

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

N002-0031

Molecular Formula

C34H51NO11 (C34 H51 NO11)

Compound Name

{3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-[(Z)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]oxan-2-yl}methyl 2,2-dimethylpropanoate

IUPAC name

{345-tris[(22-dimethylpropanoyl)oxy]-6-[(Z)-[(3-hydroxy-4-methoxyphenyl)methylidene]amino]oxan-2-yl}methyl 22-dimethylpropanoate

SMILES

CC(C)(C)C(OCC(C(C(C1OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC1/N=C\c(cc1)cc(O)c1OC)=O

InChI

InChI=1S/C34H51NO11/c1-31(2,3)27(37)42-18-22-23(44-28(38)32(4,5)6)24(45-29(39)33(7,8)9)25(46-30(40)34(10,11)12)26(43-22)35-17-19-14-15-21(41-13)20(36)16-19/h14-17,22-26,36H,18H2,1-13H3

InChI Key

RWEVDKQWZFKZIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

649.78

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.987

Distribution Coefficient, logD

6.980

Water Solubility, LogSw

-5.55

Polar Surface Area

123.948

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

67.60

References: we are preparing a list of scientific research reports with N002-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N002-0031
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Delivery formats for N002-0031
  • 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 N002-0031 available by request