V009-6052 Screening compound: ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V009-6052 Screening compound: ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V009-6052 Screening compound: ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6052
ethyl 2-{[5-(3,4-dimethoxyphenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

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

V009-6052

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

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

IUPAC name

ethyl 2-{[5-(34-dimethoxyphenyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(C)Sc1nnc(-c(cc2)cc(OC)c2OC)n1-c1cc(C)ccc1)=O

InChI

InChI=1S/C22H25N3O4S/c1-6-29-21(26)15(3)30-22-24-23-20(25(22)17-9-7-8-14(2)12-17)16-10-11-18(27-4)19(13-16)28-5/h7-13,15H,6H2,1-5H3/t15-/m0/s1

InChI Key

IFQKNBAIRUEEFY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19844712

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.654

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.46

Polar Surface Area

60.999

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V009-6052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6052?
Check Price and Availability of V009-6052, 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 V009-6052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6052
  • 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 V009-6052 available by request