1481-0031 Screening compound: (1S,3S,5R,8S,9S,10S,11R,14R,16S,19S)-9,10,19-trihydroxy-5-methyl-12-methylene-7-azaheptacyclo[9.6.2.1~7,16~.0~1,8~.0~5,17~.0~9,14~.0~14,18~]icos-3-yl acetate

1481-0031 Screening compound: (1S,3S,5R,8S,9S,10S,11R,14R,16S,19S)-9,10,19-trihydroxy-5-methyl-12-methylene-7-azaheptacyclo[9.6.2.1~7,16~.0~1,8~.0~5,17~.0~9,14~.0~14,18~]icos-3-yl acetate
1481-0031 Screening compound: (1S,3S,5R,8S,9S,10S,11R,14R,16S,19S)-9,10,19-trihydroxy-5-methyl-12-methylene-7-azaheptacyclo[9.6.2.1~7,16~.0~1,8~.0~5,17~.0~9,14~.0~14,18~]icos-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1481-0031
(1S,3S,5R,8S,9S,10S,11R,14R,16S,19S)-9,10,19-trihydroxy-5-methyl-12-methylene-7-azaheptacyclo[9.6.2.1~7,16~.0~1,8~.0~5,17~.0~9,14~.0~14,18~]icos-3-yl acetate

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

1481-0031

Molecular Formula

C23H31NO5 (C23 H31 NO5)

Compound Name

(1S,3S,5R,8S,9S,10S,11R,14R,16S,19S)-9,10,19-trihydroxy-5-methyl-12-methylene-7-azaheptacyclo[9.6.2.1~7,16~.0~1,8~.0~5,17~.0~9,14~.0~14,18~]icos-3-yl acetate

IUPAC name

(4R10S12R14S16S19S)-5619-trihydroxy-12-methyl-3-methylidene-8-azaheptacyclo[8.7.1.1^{417}.1^{812}.0^{16}.0^{716}.0^{1116}]icosan-14-yl acetate

SMILES

C[C@@]1(C[C@@H](C2)OC(C)=O)C([C@H](CC(CC([C@H]3[C@H]4O)=C)(C5[C@@H]3O)[C@@]43O)C4)[C@@]25C3N4C1

InChI

InChI=1S/C23H32NO5/c1-10-4-21-5-12-8-24-9-20(3)6-13(29-11(2)25)7-22(16(12)20)17(21)15(26)14(10)18(27)23(21,28)19(22)24/h12-19,24,26-28H,1,4-9H2,2-3H3/t12-,13+,14-,15-,16?,17?,18+,19?,20+,21?,22+,23+/m1/s1

InChI Key

ZQVDOLVMVLEDBT-YESMZAKASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.207

Distribution Coefficient, logD

0.139

Water Solubility, LogSw

-1.37

Polar Surface Area

69.338

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

12.00

Percent sp3 carbon bonding

87.00

1481-0031 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 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 1481-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1481-0031?
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What is the minimum amount of 1481-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1481-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1481-0031
  • 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 1481-0031 available by request