4151-0396 Screening compound: N,N-dicyclohexyl-N'-(4,6-dimethylpyrimidin-2-yl)guanidine

4151-0396 Screening compound: N,N-dicyclohexyl-N'-(4,6-dimethylpyrimidin-2-yl)guanidine
4151-0396 Screening compound: N,N-dicyclohexyl-N'-(4,6-dimethylpyrimidin-2-yl)guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0396
N,N-dicyclohexyl-N'-(4,6-dimethylpyrimidin-2-yl)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

4151-0396

Molecular Formula

C19H31N5 (C19 H31 N5)

Compound Name

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

IUPAC name

NN-dicyclohexyl-N'-(46-dimethylpyrimidin-2-yl)guanidine

SMILES

Cc1nc(NC(N(C2CCCCC2)C2CCCCC2)=N)nc(C)c1

InChI

InChI=1S/C19H31N5/c1-14-13-15(2)22-19(21-14)23-18(20)24(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h13,16-17H,3-12H2,1-2H3,(H2,20,21,22,23)

InChI Key

GPXQOPICDAQLNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02817211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

-0.370

Water Solubility, LogSw

-4.05

Polar Surface Area

47.467

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

11.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.70

4151-0396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4151-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0396?
Check Price and Availability of 4151-0396, 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 4151-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0396
  • 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 4151-0396 available by request