N037-0036 Screening compound: (3R,4aS,5R,8aS,9R,9aS,12R,15aR,15bS,16aS,16bR)-9,12,16b-trimethyldocosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,5,6b(7H)-triol

N037-0036 Screening compound: (3R,4aS,5R,8aS,9R,9aS,12R,15aR,15bS,16aS,16bR)-9,12,16b-trimethyldocosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,5,6b(7H)-triol
N037-0036 Screening compound: (3R,4aS,5R,8aS,9R,9aS,12R,15aR,15bS,16aS,16bR)-9,12,16b-trimethyldocosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,5,6b(7H)-triol alternative view

Chemical Structure Depiction of ChemDiv screening compound N037-0036
(3R,4aS,5R,8aS,9R,9aS,12R,15aR,15bS,16aS,16bR)-9,12,16b-trimethyldocosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,5,6b(7H)-triol

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

N037-0036

Molecular Formula

C27H45NO3 (C27 H45 NO3)

Compound Name

(3R,4aS,5R,8aS,9R,9aS,12R,15aR,15bS,16aS,16bR)-9,12,16b-trimethyldocosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinoline-3,5,6b(7H)-triol

IUPAC name

(1S2R6R9S10R11S14R17R18S20R23R24S)-61023-trimethyl-4-azahexacyclo[12.11.0.0^{211}.0^{49}.0^{1524}.0^{1823}]pentacosane-141720-triol

SMILES

C[C@@H](CC1)CN(C2)[C@H]1[C@@H](C)[C@H](CC1)[C@H]2[C@@H](C[C@H](C2C3)[C@](C)(CC[C@@H](C4)O)[C@@H]4[C@H]3O)[C@@]12O

InChI

InChI=1S/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+,22?,23-,24+,25-,26+,27-/m1/s1

InChI Key

NQGYOUYEGZOZBN-TXQCOCJLSA-N

MDL Number (MFCD)

MFCD02939889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-3.78

Polar Surface Area

49.754

Acid Dissociation Constant (pKa)

16.39

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

13.00

Percent sp3 carbon bonding

100.00

N037-0036 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with N037-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N037-0036?
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What is the minimum amount of N037-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N037-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N037-0036
  • 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 N037-0036 available by request