Y205-1291 Screening compound: N-(2-methyl-3-nitrophenyl)-N'-[3-(trifluoromethyl)phenyl]urea

Y205-1291 Screening compound: N-(2-methyl-3-nitrophenyl)-N'-[3-(trifluoromethyl)phenyl]urea
Y205-1291 Screening compound: N-(2-methyl-3-nitrophenyl)-N'-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1291
N-(2-methyl-3-nitrophenyl)-N'-[3-(trifluoromethyl)phenyl]urea

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

Y205-1291

Molecular Formula

C15H12F3N3O3 (C15 H12 F3 N3 O3)

Compound Name

N-(2-methyl-3-nitrophenyl)-N'-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-(2-methyl-3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]urea

SMILES

Cc(c([N+]([O-])=O)ccc1)c1NC(Nc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C15H12F3N3O3/c1-9-12(6-3-7-13(9)21(23)24)20-14(22)19-11-5-2-4-10(8-11)15(16,17)18/h2-8H,1H3,(H2,19,20,22)

InChI Key

YXIDXIAONQOABE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.53

Polar Surface Area

64.924

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y205-1291 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1291?
Check Price and Availability of Y205-1291, 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 Y205-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1291
  • 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 Y205-1291 available by request