V008-0586 Screening compound: ethyl 3-({4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate

V008-0586 Screening compound: ethyl 3-({4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate
V008-0586 Screening compound: ethyl 3-({4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0586
ethyl 3-({4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate

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

V008-0586

Molecular Formula

C25H27F3N4O5 (C25 H27 F3 N4 O5)

Compound Name

ethyl 3-({4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]phenyl}carbamoyl)propanoate

IUPAC name

ethyl 3-({4-[3-(2-ethoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1H-124-triazol-1-yl]phenyl}carbamoyl)propanoate

SMILES

CCOCCOc(nc1-c2ccc(C(F)(F)F)cc2)nn1-c(cc1)ccc1NC(CCC(OCC)=O)=O

InChI

InChI=1S/C25H27F3N4O5/c1-3-35-15-16-37-24-30-23(17-5-7-18(8-6-17)25(26,27)28)32(31-24)20-11-9-19(10-12-20)29-21(33)13-14-22(34)36-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,29,33)

InChI Key

CTYBLBQXELMUDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19750024

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.24

Polar Surface Area

82.393

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V008-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0586?
Check Price and Availability of V008-0586, 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 V008-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0586
  • 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 V008-0586 available by request