0589-0006 Screening compound: N-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]guanidine

0589-0006 Screening compound: N-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]guanidine
0589-0006 Screening compound: N-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0589-0006
N-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]guanidine

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

0589-0006

Molecular Formula

C11H16N4O3 (C11 H16 N4 O3)

Compound Name

N-[(E)-[(3,4,5-trimethoxyphenyl)methylidene]amino]guanidine

IUPAC name

N-[(E)-[(345-trimethoxyphenyl)methylidene]amino]guanidine

SMILES

COc1cc(/C=N/NC(N)=N)cc(OC)c1OC

InChI

InChI=1S/C11H16N4O3/c1-16-8-4-7(6-14-15-11(12)13)5-9(17-2)10(8)18-3/h4-6H,1-3H3,(H4,12,13,15)

InChI Key

LDLMSHUTQZWFDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.410

Distribution Coefficient, logD

-6.524

Water Solubility, LogSw

-1.41

Polar Surface Area

84.278

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

11.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0589-0006 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0589-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0589-0006?
Check Price and Availability of 0589-0006, 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 0589-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0589-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0589-0006
  • 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 0589-0006 available by request