5120-0027 Screening compound: N-[(4-methoxyphenyl)methyl]guanidine

5120-0027 Screening compound: N-[(4-methoxyphenyl)methyl]guanidine
5120-0027 Screening compound: N-[(4-methoxyphenyl)methyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5120-0027
N-[(4-methoxyphenyl)methyl]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

5120-0027

Molecular Formula

C9H13N3O (C9 H13 N3 O)

Compound Name

N-[(4-methoxyphenyl)methyl]guanidine

IUPAC name

N-[(4-methoxyphenyl)methyl]guanidine

SMILES

COc1ccc(CNC(N)=N)cc1

InChI

InChI=1S/C9H13N3O/c1-13-8-4-2-7(3-5-8)6-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)

InChI Key

GSNNHGKCGLQEGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00460582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.22

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.272

Distribution Coefficient, logD

-5.579

Water Solubility, LogSw

-1.41

Polar Surface Area

57.941

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

13.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5120-0027 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5120-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5120-0027?
Check Price and Availability of 5120-0027, 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 5120-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5120-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5120-0027
  • 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 5120-0027 available by request