3391-6907 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-propoxyphenyl)guanidine

3391-6907 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-propoxyphenyl)guanidine
3391-6907 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-propoxyphenyl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3391-6907
N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-propoxyphenyl)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

3391-6907

Molecular Formula

C16H21N5O (C16 H21 N5 O)

Compound Name

N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-propoxyphenyl)guanidine

IUPAC name

N'-(46-dimethylpyrimidin-2-yl)-N-(4-propoxyphenyl)guanidine

SMILES

CCCOc(cc1)ccc1NC(Nc1nc(C)cc(C)n1)=N

InChI

InChI=1S/C16H21N5O/c1-4-9-22-14-7-5-13(6-8-14)20-15(17)21-16-18-11(2)10-12(3)19-16/h5-8,10H,4,9H2,1-3H3,(H3,17,18,19,20,21)

InChI Key

DBQCTQQNGBADLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01955705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.561

Distribution Coefficient, logD

-1.718

Water Solubility, LogSw

-3.57

Polar Surface Area

63.581

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3391-6907 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 3391-6907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3391-6907?
Check Price and Availability of 3391-6907, 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 3391-6907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3391-6907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3391-6907
  • 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 3391-6907 available by request