S322-0208 Screening compound: 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

S322-0208 Screening compound: 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
S322-0208 Screening compound: 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0208
1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

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

S322-0208

Molecular Formula

C32H33N5O4S2 (C32 H33 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-n1c(SCC(N2CCCCCC2)=O)nnc1-c(c1c2cccc1)cn2S(c1ccccc1)(=O)=O

InChI

InChI=1S/C32H33N5O4S2/c1-2-41-25-18-16-24(17-19-25)37-31(33-34-32(37)42-23-30(38)35-20-10-3-4-11-21-35)28-22-36(29-15-9-8-14-27(28)29)43(39,40)26-12-6-5-7-13-26/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3

InChI Key

NHESDSXIOCUABF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

615.78

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.750

Water Solubility, LogSw

-5.50

Polar Surface Area

77.553

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

S322-0208 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with S322-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0208?
Check Price and Availability of S322-0208, 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 S322-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0208
  • 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 S322-0208 available by request