4185-0010 Screening compound: 12,15,15b,17b-tetramethyl-2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-f]pyrido[1,2-c][1,3]oxazepin-3-ol

4185-0010 Screening compound: 12,15,15b,17b-tetramethyl-2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-f]pyrido[1,2-c][1,3]oxazepin-3-ol
4185-0010 Screening compound: 12,15,15b,17b-tetramethyl-2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-f]pyrido[1,2-c][1,3]oxazepin-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4185-0010
12,15,15b,17b-tetramethyl-2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-f]pyrido[1,2-c][1,3]oxazepin-3-ol

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

4185-0010

Molecular Formula

C28H45NO2 (C28 H45 NO2)

Compound Name

12,15,15b,17b-tetramethyl-2,3,4,6,6a,6b,7,7a,11,12,13,14,14a,15,15a,15b,16,17,17a,17b-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-f]pyrido[1,2-c][1,3]oxazepin-3-ol

IUPAC name

13723-tetramethyl-11-oxa-9-azahexacyclo[12.12.0.0^{212}.0^{49}.0^{1524}.0^{1823}]hexacos-17-en-20-ol

SMILES

CC(CC1)CN(COC2C3)C1C(C)C2C(C)(CC1)C3C2C1C(C)(CCC(C1)O)C1=CC2

InChI

InChI=1S/C28H45NO2/c1-17-5-8-24-18(2)26-25(31-16-29(24)15-17)14-23-21-7-6-19-13-20(30)9-11-27(19,3)22(21)10-12-28(23,26)4/h6,17-18,20-26,30H,5,7-16H2,1-4H3

InChI Key

GRMUAQMHJKQVFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01921921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.712

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-6.04

Polar Surface Area

29.121

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

11.00

Percent sp3 carbon bonding

92.86

4185-0010 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 4185-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4185-0010?
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What is the minimum amount of 4185-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4185-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4185-0010
  • 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 4185-0010 available by request