5300-0041 Screening compound: N'-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N-[4-(dimethylamino)phenyl]guanidine

5300-0041 Screening compound: N'-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N-[4-(dimethylamino)phenyl]guanidine
5300-0041 Screening compound: N'-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N-[4-(dimethylamino)phenyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5300-0041
N'-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N-[4-(dimethylamino)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

5300-0041

Molecular Formula

C15H14F6N6 (C15 H14 F6 N6)

Compound Name

N'-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-N-[4-(dimethylamino)phenyl]guanidine

IUPAC name

N'-[46-bis(trifluoromethyl)pyrimidin-2-yl]-N-[4-(dimethylamino)phenyl]guanidine

SMILES

CN(C)c(cc1)ccc1NC(Nc1nc(C(F)(F)F)cc(C(F)(F)F)n1)=N

InChI

InChI=1S/C15H14F6N6/c1-27(2)9-5-3-8(4-6-9)23-12(22)26-13-24-10(14(16,17)18)7-11(25-13)15(19,20)21/h3-7H,1-2H3,(H3,22,23,24,25,26)

InChI Key

SESPBYCMOIQGIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.38

Polar Surface Area

59.355

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

10.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5300-0041 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 5300-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5300-0041?
Check Price and Availability of 5300-0041, 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 5300-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5300-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5300-0041
  • 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 5300-0041 available by request