8004-9675 Screening compound: methyl (4aR,6aS)-2-(acetyloxy)-6b-(methoxyethanimidoyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d]isoxazole-9-carboxylate

8004-9675 Screening compound: methyl (4aR,6aS)-2-(acetyloxy)-6b-(methoxyethanimidoyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d]isoxazole-9-carboxylate
8004-9675 Screening compound: methyl (4aR,6aS)-2-(acetyloxy)-6b-(methoxyethanimidoyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d]isoxazole-9-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9675
methyl (4aR,6aS)-2-(acetyloxy)-6b-(methoxyethanimidoyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d]isoxazole-9-carboxylate

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

8004-9675

Molecular Formula

C27H38N2O6 (C27 H38 N2 O6)

Compound Name

methyl (4aR,6aS)-2-(acetyloxy)-6b-(methoxyethanimidoyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-d]isoxazole-9-carboxylate

IUPAC name

methyl (9S13R)-16-(acetyloxy)-8-[(1E)-1-(methoxyimino)ethyl]-913-dimethyl-7-oxa-6-azapentacyclo[10.8.0.0^{29}.0^{48}.0^{1318}]icosa-518-diene-5-carboxylate

SMILES

C[C@@](CC1)(C(CC23)C4C1[C@](C)(CCC(C1)OC(C)=O)C1=CC4)C3(/C(/C)=N/OC)ON=C2C(OC)=O

InChI

InChI=1S/C27H38N2O6/c1-15(28-33-6)27-22(23(29-35-27)24(31)32-5)14-21-19-8-7-17-13-18(34-16(2)30)9-11-25(17,3)20(19)10-12-26(21,27)4/h7,18-22H,8-14H2,1-6H3/t18?,19?,20?,21?,22?,25-,26-,27?/m1/s1

InChI Key

HMAGMEFQRZUDPW-HRPUEVSHSA-N

MDL Number (MFCD)

MFCD00747017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.86

Polar Surface Area

81.609

Acid Dissociation Constant (pKa)

24.56

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

77.80

8004-9675 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-9675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9675?
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What is the minimum amount of 8004-9675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9675
  • 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 8004-9675 available by request