N004-0003 Screening compound: bis({8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl}methyl)amino acetate

N004-0003 Screening compound: bis({8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl}methyl)amino acetate
N004-0003 Screening compound: bis({8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl}methyl)amino acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N004-0003
bis({8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl}methyl)amino 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

N004-0003

Molecular Formula

C32H45NO6 (C32 H45 NO6)

Compound Name

bis({8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[2,3-b]furan-3-yl}methyl)amino acetate

IUPAC name

bis({8a-methyl-5-methylidene-2-oxo-dodecahydronaphtho[23-b]furan-3-yl}methyl)amino acetate

SMILES

CC(CCC1)(CC(C(C2)C3CN(CC(C(CC(C(C)(CCC4)C5)C4=C)C5O4)C4=O)OC(C)=O)OC3=O)C2C1=C

InChI

InChI=1S/C32H45NO6/c1-18-8-6-10-31(4)14-27-21(12-25(18)31)23(29(35)37-27)16-33(39-20(3)34)17-24-22-13-26-19(2)9-7-11-32(26,5)15-28(22)38-30(24)36/h21-28H,1-2,6-17H2,3-5H3

InChI Key

MCCXNEZASUGBKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.653

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-5.32

Polar Surface Area

71.984

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

78.10

N004-0003 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N004-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N004-0003?
Check Price and Availability of N004-0003, 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 N004-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N004-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N004-0003
  • 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 N004-0003 available by request