8008-8086 Screening compound: 1-[(2S,4aR,6aS,7aR)-7-acetyl-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6-yl]-1-ethanone

8008-8086 Screening compound: 1-[(2S,4aR,6aS,7aR)-7-acetyl-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6-yl]-1-ethanone
8008-8086 Screening compound: 1-[(2S,4aR,6aS,7aR)-7-acetyl-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8086
1-[(2S,4aR,6aS,7aR)-7-acetyl-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6-yl]-1-ethanone

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

8008-8086

Molecular Formula

C23H33NO3 (C23 H33 NO3)

Compound Name

1-[(2S,4aR,6aS,7aR)-7-acetyl-2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydronaphtho[2',1':4,5]indeno[1,2-b]aziren-6-yl]-1-ethanone

IUPAC name

1-[(4R6S7S11R14S)-6-acetyl-14-hydroxy-711-dimethyl-5-azapentacyclo[8.8.0.0^{27}.0^{46}.0^{1116}]octadec-16-en-5-yl]ethan-1-one

SMILES

C[C@@](CC1)(C(C[C@H]23)C4C1[C@](C)(CC[C@H](C1)O)C1=CC4)[C@@]3(C(C)=O)N2C(C)=O

InChI

InChI=1S/C23H33NO3/c1-13(25)23-20(24(23)14(2)26)12-19-17-6-5-15-11-16(27)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20,27H,6-12H2,1-4H3/t16-,17?,18?,19?,20+,21+,22+,23-,24?/m0/s1

InChI Key

ZEXKBKAYWZMNJG-QLNSLMLRSA-N

MDL Number (MFCD)

MFCD01460048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-4.20

Polar Surface Area

45.854

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

82.60

8008-8086 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8008-8086 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-8086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8086
  • 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 8008-8086 available by request