3254-2027 Screening compound: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

3254-2027 Screening compound: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
3254-2027 Screening compound: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2027
2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

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

3254-2027

Molecular Formula

C20H20FN5O2S (C20 H20 FN5 O2 S)

Compound Name

2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

IUPAC name

2-{[4-ethyl-5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide

SMILES

CCn1c(SCC(N/N=C/c(cc2)ccc2F)=O)nnc1-c(cc1)ccc1OC

InChI

InChI=1S/C20H20FN5O2S/c1-3-26-19(15-6-10-17(28-2)11-7-15)24-25-20(26)29-13-18(27)23-22-12-14-4-8-16(21)9-5-14/h4-12H,3,13H2,1-2H3,(H,23,27)

InChI Key

KIHVDFOYWUQUFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02729420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.83

Polar Surface Area

66.883

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3254-2027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2027?
Check Price and Availability of 3254-2027, 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 3254-2027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2027
  • 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 3254-2027 available by request