N062-0002 Screening compound: (5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid

N062-0002 Screening compound: (5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
N062-0002 Screening compound: (5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N062-0002
(5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid

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

N062-0002

Molecular Formula

C32H50O13 (C32 H50 O13)

Compound Name

(5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-O-hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid

IUPAC name

(1R4S5R9S10R13S)-13-{[45-dihydroxy-6-(hydroxymethyl)-3-{[345-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-59-dimethyl-14-methylidenetetracyclo[11.2.1.0^{110}.0^{49}]hexadecane-5-carboxylic acid

SMILES

C[C@@](CCC1)([C@@H](CC[C@@](C2)(C(C3)=C)OC(C(C4O)OC(C(C5O)O)OC(CO)C5O)OC(CO)C4O)[C@@]23CC2)[C@@H]2[C@@]1(C)C(O)=O

InChI

InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16?,17?,18-,19-,20?,21?,22?,23?,24?,25?,26?,27?,29+,30+,31+,32-/m1/s1

InChI Key

OMHUCGDTACNQEX-YPAKGWMPSA-N

MDL Number (MFCD)

MFCD02657267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

642.74

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

8.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

-0.283

Distribution Coefficient, logD

-2.576

Water Solubility, LogSw

-1.11

Polar Surface Area

171.326

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

16.00

Percent sp3 carbon bonding

90.60

N062-0002 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with N062-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N062-0002?
Check Price and Availability of N062-0002, 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 N062-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N062-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N062-0002
  • 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 N062-0002 available by request