V002-7797 Screening compound: ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate

V002-7797 Screening compound: ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate
V002-7797 Screening compound: ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7797
ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-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

V002-7797

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

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

IUPAC name

ethyl 4-{[5-(4-methoxyphenyl)-4-(2-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}butanoate

SMILES

CCOC(CCCSc1nnc(-c(cc2)ccc2OC)n1-c1c(C)cccc1)=O

InChI

InChI=1S/C22H25N3O3S/c1-4-28-20(26)10-7-15-29-22-24-23-21(17-11-13-18(27-3)14-12-17)25(22)19-9-6-5-8-16(19)2/h5-6,8-9,11-14H,4,7,10,15H2,1-3H3

InChI Key

MFJTUOVURDCVDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19843942

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.36

Polar Surface Area

52.386

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V002-7797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7797?
Check Price and Availability of V002-7797, 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 V002-7797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7797
  • 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 V002-7797 available by request