V030-9526 Screening compound: ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

V030-9526 Screening compound: ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
V030-9526 Screening compound: ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9526
ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

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

V030-9526

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

IUPAC name

ethyl 4-{[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-124-triazol-3-yl]sulfanyl}butanoate

SMILES

CCOC(CCCSc1nnc(-c2cnccc2)n1-c1ccc(C)cc1)=O

InChI

InChI=1S/C20H22N4O2S/c1-3-26-18(25)7-5-13-27-20-23-22-19(16-6-4-12-21-14-16)24(20)17-10-8-15(2)9-11-17/h4,6,8-12,14H,3,5,7,13H2,1-2H3

InChI Key

PDXUFBCQSTVMIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844229

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.21

Polar Surface Area

54.661

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V030-9526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9526?
Check Price and Availability of V030-9526, 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 V030-9526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9526
  • 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 V030-9526 available by request