4477-2891 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-[4-(propan-2-yl)phenyl]guanidine

4477-2891 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-[4-(propan-2-yl)phenyl]guanidine
4477-2891 Screening compound: N'-(4,6-dimethylpyrimidin-2-yl)-N-[4-(propan-2-yl)phenyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2891
N'-(4,6-dimethylpyrimidin-2-yl)-N-[4-(propan-2-yl)phenyl]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

4477-2891

Molecular Formula

C16H21N5 (C16 H21 N5)

Compound Name

N'-(4,6-dimethylpyrimidin-2-yl)-N-[4-(propan-2-yl)phenyl]guanidine

IUPAC name

N'-(46-dimethylpyrimidin-2-yl)-N-[4-(propan-2-yl)phenyl]guanidine

SMILES

CC(C)c(cc1)ccc1NC(Nc1nc(C)cc(C)n1)=N

InChI

InChI=1S/C16H21N5/c1-10(2)13-5-7-14(8-6-13)20-15(17)21-16-18-11(3)9-12(4)19-16/h5-10H,1-4H3,(H3,17,18,19,20,21)

InChI Key

NIWNHZODVYNBFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01564949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

-1.339

Water Solubility, LogSw

-3.87

Polar Surface Area

56.163

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

4477-2891 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4477-2891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2891?
Check Price and Availability of 4477-2891, 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 4477-2891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2891
  • 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 4477-2891 available by request