S322-0250 Screening compound: ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate

S322-0250 Screening compound: ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
S322-0250 Screening compound: ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0250
ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-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

S322-0250

Molecular Formula

C30H30N4O5S2 (C30 H30 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)Sc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1OCC

InChI

InChI=1S/C30H30N4O5S2/c1-4-27(29(35)39-6-3)40-30-32-31-28(34(30)21-16-18-22(19-17-21)38-5-2)25-20-33(26-15-11-10-14-24(25)26)41(36,37)23-12-8-7-9-13-23/h7-20,27H,4-6H2,1-3H3/t27-/m0/s1

InChI Key

PWQFDYVOFKZAQW-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27618140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.266

Distribution Coefficient, logD

6.266

Water Solubility, LogSw

-5.63

Polar Surface Area

81.854

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with S322-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0250?
Check Price and Availability of S322-0250, 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 S322-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0250
  • 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 S322-0250 available by request