Y021-1542 Screening compound: N-(2-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]guanidine

Y021-1542 Screening compound: N-(2-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]guanidine
Y021-1542 Screening compound: N-(2-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]guanidine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1542
N-(2-methoxyphenyl)-N'-[3-(trifluoromethyl)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

Y021-1542

Molecular Formula

C15H14F3N3O (C15 H14 F3 N3 O)

Compound Name

N-(2-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]guanidine

IUPAC name

N-(2-methoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]guanidine

SMILES

COc(cccc1)c1NC(Nc1cccc(C(F)(F)F)c1)=N

InChI

InChI=1S/C15H14F3N3O/c1-22-13-8-3-2-7-12(13)21-14(19)20-11-6-4-5-10(9-11)15(16,17)18/h2-9H,1H3,(H3,19,20,21)

InChI Key

CIVUFLZMZOVXDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03372714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

0.486

Water Solubility, LogSw

-4.54

Polar Surface Area

43.778

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

11.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y021-1542 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 Y021-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1542?
Check Price and Availability of Y021-1542, 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 Y021-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1542
  • 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 Y021-1542 available by request