S322-0330 Screening compound: 1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

S322-0330 Screening compound: 1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole
S322-0330 Screening compound: 1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0330
1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

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

S322-0330

Molecular Formula

C33H28N4O4S2 (C33 H28 N4 O4 S2)

Compound Name

1-(benzenesulfonyl)-3-[4-(2,5-dimethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl]-1H-indole

IUPAC name

1-(benzenesulfonyl)-3-[4-(25-dimethoxyphenyl)-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-124-triazol-3-yl]-1H-indole

SMILES

COc(cc1)cc(-n2c(SC/C=C/c3ccccc3)nnc2-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)c1OC

InChI

InChI=1S/C33H28N4O4S2/c1-40-25-19-20-31(41-2)30(22-25)37-32(34-35-33(37)42-21-11-14-24-12-5-3-6-13-24)28-23-36(29-18-10-9-17-27(28)29)43(38,39)26-15-7-4-8-16-26/h3-20,22-23H,21H2,1-2H3

InChI Key

OKKYLWINPILUJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.032

Distribution Coefficient, logD

7.032

Water Solubility, LogSw

-5.94

Polar Surface Area

68.579

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

S322-0330 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S322-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0330?
Check Price and Availability of S322-0330, 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 S322-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0330
  • 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 S322-0330 available by request