N017-0009 Screening compound: 6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate

N017-0009 Screening compound: 6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate
N017-0009 Screening compound: 6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N017-0009
6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-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

N017-0009

Molecular Formula

C23H32O4 (C23 H32 O4)

Compound Name

6b-acetyl-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,6b,7a,8,8a,8b,9-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-2-yl acetate

IUPAC name

6-acetyl-711-dimethyl-5-oxapentacyclo[8.8.0.0^{27}.0^{46}.0^{1116}]octadec-16-en-14-yl acetate

SMILES

CC1(CC2)C3(C(C)=O)OC3CC1C1C2C(C)(CCC(C2)OC(C)=O)C2=CC1

InChI

InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3

InChI Key

YRLVTBXOGJMZNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00367371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-4.49

Polar Surface Area

42.546

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

82.60

N017-0009 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Natural Compounds Library (353 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with N017-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N017-0009?
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What is the minimum amount of N017-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N017-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N017-0009
  • 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 N017-0009 available by request