N006-0007 Screening compound: (5alpha)-spirostan-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside

N006-0007 Screening compound: (5alpha)-spirostan-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside
N006-0007 Screening compound: (5alpha)-spirostan-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside alternative view

Chemical Structure Depiction of ChemDiv screening compound N006-0007
(5alpha)-spirostan-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside

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

N006-0007

Molecular Formula

C45H74O16 (C45 H74 O16)

Compound Name

(5alpha)-spirostan-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]hexopyranoside

IUPAC name

2-{[4-hydroxy-6-(hydroxymethyl)-2-[(2R7'S18'S)-57'9'13'-tetramethyl-5'-oxaspiro[oxane-26'-pentacyclo[10.8.0.0^{29}.0^{48}.0^{1318}]icosane]oxy]-5-[(345-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-345-triol

SMILES

C[C@@H](C(C(C1)O2)C(C)(CC3)C1C(CC1)C3C(C)(CC3)[C@@H]1CC3OC(C(C1O)OC(C(C3O)O)OC(C)C3O)OC(CO)C1OC(C(C1O)O)OC(C)C1O)[C@@]21OCC(C)CC1

InChI

InChI=1S/C45H74O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h19-42,46-53H,7-18H2,1-6H3/t19?,20-,21?,22?,23-,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45+/m0/s1

InChI Key

KFYOFJUUTSALEH-WEFCCHQPSA-N

MDL Number (MFCD)

MFCD00808459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

871.07

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-4.29

Polar Surface Area

188.416

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

27.00

Percent sp3 carbon bonding

100.00

N006-0007 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with N006-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N006-0007?
Check Price and Availability of N006-0007, 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 N006-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N006-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N006-0007
  • 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 N006-0007 available by request