S322-0214 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

S322-0214 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
S322-0214 Screening compound: 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0214
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

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

S322-0214

Molecular Formula

C33H29N5O4S2 (C33 H29 N5 O4 S2)

Compound Name

2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

IUPAC name

2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-124-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

CCOc(cc1)ccc1-n1c(SCC(Nc2cc(C)ccc2)=O)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C33H29N5O4S2/c1-3-42-26-18-16-25(17-19-26)38-32(35-36-33(38)43-22-31(39)34-24-11-9-10-23(2)20-24)29-21-37(30-15-8-7-14-28(29)30)44(40,41)27-12-5-4-6-13-27/h4-21H,3,22H2,1-2H3,(H,34,39)

InChI Key

FBOIKWPFFFHAQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

623.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.352

Distribution Coefficient, logD

6.352

Water Solubility, LogSw

-5.57

Polar Surface Area

83.978

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

S322-0214 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S322-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0214?
Check Price and Availability of S322-0214, 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 S322-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0214
  • 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 S322-0214 available by request