N060-0154 Screening compound: 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,5R,9S,13R)-13-[(4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)oxy]-5,9-dimethyltetracyclo[11.

N060-0154 Screening compound: 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,5R,9S,13R)-13-[(4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)oxy]-5,9-dimethyltetracyclo[11.
N060-0154 Screening compound: 3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,5R,9S,13R)-13-[(4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)oxy]-5,9-dimethyltetracyclo[11. alternative view

Chemical Structure Depiction of ChemDiv screening compound N060-0154
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,5R,9S,13R)-13-[(4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)oxy]-5,9-dimethyltetracyclo[11.

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

N060-0154

Molecular Formula

C37H60O18 (C37 H60 O18)

Compound Name

3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,5R,9S,13R)-13-[(4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl)oxy]-5,9-dimethyltetracyclo[11.

IUPAC name

345-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R5R9S13R)-13-{[45-dihydroxy-6-(hydroxymethyl)-3-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-59-dimethyltetracyclo[11.2.1.0^{110}.0^{49}]hexadecane-5-carboxylate

SMILES

C[C@@](CCC1)(C(CC[C@](CC2)(C3)OC(C(C4O)OC(C(C5O)O)OC(CO)C5O)OC(CO)C4O)[C@]23CC2)C2[C@@]1(C)C(OC(C(C1O)O)OC(CO)C1O)=O

InChI

InChI=1S/C37H60O18/c1-34-6-3-7-35(2,33(49)54-31-28(48)25(45)22(42)17(13-39)51-31)19(34)4-8-36-10-11-37(15-36,9-5-20(34)36)55-32-29(26(46)23(43)18(14-40)52-32)53-30-27(47)24(44)21(41)16(12-38)50-30/h16-32,38-48H,3-15H2,1-2H3/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34-,35-,36-,37-/m0/s1

InChI Key

XOUZKNDFCQOEMV-DLLHFVESSA-N

MDL Number (MFCD)

MFCD02657266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

792.87

Hydrogen Bond Acceptors Count

19.00

Hydrogen Bond Donors Count

11.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

-2.538

Distribution Coefficient, logD

-2.538

Water Solubility, LogSw

-1.12

Polar Surface Area

236.463

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

21.00

Percent sp3 carbon bonding

97.30

N060-0154 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with N060-0154 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 N060-0154
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Delivery formats for N060-0154
  • 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 N060-0154 available by request