Y509-5725 Screening compound: N-butyl-N'-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea

Y509-5725 Screening compound: N-butyl-N'-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea
Y509-5725 Screening compound: N-butyl-N'-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-5725
N-butyl-N'-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea

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

Y509-5725

Molecular Formula

C15H18F3N5S (C15 H18 F3 N5 S)

Compound Name

N-butyl-N'-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea

IUPAC name

n/a

SMILES

CCCCNC(Nc1nn(Cc2cc(C(F)(F)F)ccc2)cn1)=S

InChI

InChI=1S/C15H18F3N5S/c1-2-3-7-19-14(24)21-13-20-10-23(22-13)9-11-5-4-6-12(8-11)15(16,17)18/h4-6,8,10H,2-3,7,9H2,1H3,(H2,19,21,22,24)

InChI Key

MTJKACPYISFJEP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-3.87

Polar Surface Area

45.718

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y509-5725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-5725?
Check Price and Availability of Y509-5725, 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 Y509-5725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-5725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-5725
  • 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 Y509-5725 available by request