3836-0119 Screening compound: N-(2-{[(4-propoxyphenyl)methyl]sulfanyl}ethyl)guanidine

3836-0119 Screening compound: N-(2-{[(4-propoxyphenyl)methyl]sulfanyl}ethyl)guanidine
3836-0119 Screening compound: N-(2-{[(4-propoxyphenyl)methyl]sulfanyl}ethyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3836-0119
N-(2-{[(4-propoxyphenyl)methyl]sulfanyl}ethyl)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

3836-0119

Molecular Formula

C13H21N3OS (C13 H21 N3 OS)

Compound Name

N-(2-{[(4-propoxyphenyl)methyl]sulfanyl}ethyl)guanidine

IUPAC name

N-(2-{[(4-propoxyphenyl)methyl]sulfanyl}ethyl)guanidine

SMILES

CCCOc1ccc(CSCCNC(N)=N)cc1

InChI

InChI=1S/C13H21N3OS/c1-2-8-17-12-5-3-11(4-6-12)10-18-9-7-16-13(14)15/h3-6H,2,7-10H2,1H3,(H4,14,15,16)

InChI Key

RTIPRHYSEHPWOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

-3.009

Water Solubility, LogSw

-2.30

Polar Surface Area

57.657

Acid Dissociation Constant (pKa)

16.87

Base Dissociation Constant (pKb)

12.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

3836-0119 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3836-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3836-0119?
Check Price and Availability of 3836-0119, 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 3836-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3836-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3836-0119
  • 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 3836-0119 available by request