V009-7991 Screening compound: N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide

V009-7991 Screening compound: N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide
V009-7991 Screening compound: N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7991
N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide

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

V009-7991

Molecular Formula

C22H23F3N4O2 (C22 H23 F3 N4 O2)

Compound Name

N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide

IUPAC name

N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl}phenyl)-3-methylbutanamide

SMILES

CCOc(nc1-c2cccc(C(F)(F)F)c2)nn1-c(cc1)ccc1NC(CC(C)C)=O

InChI

InChI=1S/C22H23F3N4O2/c1-4-31-21-27-20(15-6-5-7-16(13-15)22(23,24)25)29(28-21)18-10-8-17(9-11-18)26-19(30)12-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,30)

InChI Key

JEHSHUFAYRDFOW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

5.756

Water Solubility, LogSw

-5.55

Polar Surface Area

53.963

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V009-7991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7991?
Check Price and Availability of V009-7991, 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 V009-7991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7991
  • 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 V009-7991 available by request