N010-0009 Screening compound: 5-(hydroxymethyl)-2,5,8a-trimethyl-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-ol

N010-0009 Screening compound: 5-(hydroxymethyl)-2,5,8a-trimethyl-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-ol
N010-0009 Screening compound: 5-(hydroxymethyl)-2,5,8a-trimethyl-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound N010-0009
5-(hydroxymethyl)-2,5,8a-trimethyl-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-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

N010-0009

Molecular Formula

C20H34O4 (C20 H34 O4)

Compound Name

5-(hydroxymethyl)-2,5,8a-trimethyl-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-ol

IUPAC name

(1R5R6S8aS)-5-(hydroxymethyl)-258a-trimethyl-octahydro-2H-dispiro[naphthalene-12':5'3''-bis(oxolane)]-6-ol

SMILES

CC(CCC([C@]1(C)CO)[C@]2(C)CC[C@@H]1O)[C@@]2(CC1)OC11COCC1

InChI

InChI=1S/C20H34O4/c1-14-4-5-15-17(2,12-21)16(22)6-7-18(15,3)20(14)9-8-19(24-20)10-11-23-13-19/h14-16,21-22H,4-13H2,1-3H3/t14?,15?,16-,17+,18+,19?,20-/m1/s1

InChI Key

UMRJYIFXXDLEKW-MQISGAOCSA-N

MDL Number (MFCD)

MFCD00808473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-2.35

Polar Surface Area

47.918

Acid Dissociation Constant (pKa)

15.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

100.00

N010-0009 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N010-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N010-0009?
Check Price and Availability of N010-0009, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N010-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N010-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N010-0009
  • 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 N010-0009 available by request