V027-9097 Screening compound: N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

V027-9097 Screening compound: N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide
V027-9097 Screening compound: N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9097
N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

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

V027-9097

Molecular Formula

C25H20F4N4O3 (C25 H20 F4 N4 O3)

Compound Name

N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

IUPAC name

N-{3-[5-(3-fluorophenyl)-3-(2-methoxyethoxy)-1H-124-triazol-1-yl]phenyl}-4-(trifluoromethyl)benzamide

SMILES

COCCOc(nc1-c2cccc(F)c2)nn1-c1cc(NC(c2ccc(C(F)(F)F)cc2)=O)ccc1

InChI

InChI=1S/C25H20F4N4O3/c1-35-12-13-36-24-31-22(17-4-2-5-19(26)14-17)33(32-24)21-7-3-6-20(15-21)30-23(34)16-8-10-18(11-9-16)25(27,28)29/h2-11,14-15H,12-13H2,1H3,(H,30,34)

InChI Key

SHOIFLQWNWXBJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19780788

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

500.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.51

Polar Surface Area

62.541

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with V027-9097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9097?
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What is the minimum amount of V027-9097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9097
  • 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 V027-9097 available by request