V027-9805 Screening compound: 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

V027-9805 Screening compound: 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
V027-9805 Screening compound: 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9805
3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]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

V027-9805

Molecular Formula

C26H25FN4OS (C26 H25 FN4 OS)

Compound Name

3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

IUPAC name

3-({[4-ethyl-5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide

SMILES

CCn1c(SCc2cc(C(NCc(cc3)ccc3F)=O)ccc2)nnc1-c1ccc(C)cc1

InChI

InChI=1S/C26H25FN4OS/c1-3-31-24(21-11-7-18(2)8-12-21)29-30-26(31)33-17-20-5-4-6-22(15-20)25(32)28-16-19-9-13-23(27)14-10-19/h4-15H,3,16-17H2,1-2H3,(H,28,32)

InChI Key

XELBSOCSECRKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27632493

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-5.37

Polar Surface Area

48.379

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V027-9805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9805?
Check Price and Availability of V027-9805, 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 V027-9805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9805
  • 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 V027-9805 available by request