S322-0318 Screening compound: 3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

S322-0318 Screening compound: 3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
S322-0318 Screening compound: 3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0318
3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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

S322-0318

Molecular Formula

C34H30ClN3O6S (C34 H30 ClN3 O6 S)

Compound Name

3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

3-[1-(benzenesulfonyl)-1H-indol-3-yl]-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethyl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

COCCN(C(C(C(Nc(cc1)cc(Cl)c1OC)=O)c1c2cccc1)c(c1c3cccc1)cn3S(c1ccccc1)(=O)=O)C2=O

InChI

InChI=1S/C34H30ClN3O6S/c1-43-19-18-37-32(27-21-38(29-15-9-8-12-24(27)29)45(41,42)23-10-4-3-5-11-23)31(25-13-6-7-14-26(25)34(37)40)33(39)36-22-16-17-30(44-2)28(35)20-22/h3-17,20-21,31-32H,18-19H2,1-2H3,(H,36,39)

InChI Key

RLQCDBGBPLZBFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.15

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.89

Polar Surface Area

83.958

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.60

S322-0318 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S322-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0318?
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What is the minimum amount of S322-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0318
  • 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 S322-0318 available by request