E690-0317 Screening compound: 2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-N-methylacetamide

E690-0317 Screening compound: 2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-N-methylacetamide
E690-0317 Screening compound: 2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E690-0317
2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-N-methylacetamide

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

E690-0317

Molecular Formula

C18H17ClN2O3S (C18 H17 ClN2 O3 S)

Compound Name

2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-N-methylacetamide

IUPAC name

2-{3-[(3-chlorophenyl)methanesulfonyl]-1H-indol-1-yl}-N-methylacetamide

SMILES

CNC(Cn1c(cccc2)c2c(S(Cc2cccc(Cl)c2)(=O)=O)c1)=O

InChI

InChI=1S/C18H17ClN2O3S/c1-20-18(22)11-21-10-17(15-7-2-3-8-16(15)21)25(23,24)12-13-5-4-6-14(19)9-13/h2-10H,11-12H2,1H3,(H,20,22)

InChI Key

ADSFQDRXPIOGFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06706986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-3.45

Polar Surface Area

55.629

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E690-0317 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E690-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E690-0317?
Check Price and Availability of E690-0317, 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 E690-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E690-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E690-0317
  • 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 E690-0317 available by request