V017-5902 Screening compound: N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}propanamide

V017-5902 Screening compound: N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}propanamide
V017-5902 Screening compound: N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5902
N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}propanamide

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

V017-5902

Molecular Formula

C21H21F3N4O2 (C21 H21 F3 N4 O2)

Compound Name

N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}propanamide

IUPAC name

N-{3-[3-(propan-2-yloxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}propanamide

SMILES

CCC(Nc1cccc(-n(c(-c2ccc(C(F)(F)F)cc2)n2)nc2OC(C)C)c1)=O

InChI

InChI=1S/C21H21F3N4O2/c1-4-18(29)25-16-6-5-7-17(12-16)28-19(26-20(27-28)30-13(2)3)14-8-10-15(11-9-14)21(22,23)24/h5-13H,4H2,1-3H3,(H,25,29)

InChI Key

WYYYIQJKOBCVHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784106

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.445

Water Solubility, LogSw

-5.40

Polar Surface Area

53.642

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V017-5902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5902?
Check Price and Availability of V017-5902, 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 V017-5902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5902
  • 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 V017-5902 available by request