3564-4603 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-methoxybenzamide

3564-4603 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-methoxybenzamide
3564-4603 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3564-4603
N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-methoxybenzamide

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

3564-4603

Molecular Formula

C22H20N2O4S (C22 H20 N2 O4 S)

Compound Name

N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-4-methoxybenzamide

IUPAC name

N-[4-(23-dihydro-1H-indole-1-sulfonyl)phenyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C22H20N2O4S/c1-28-19-10-6-17(7-11-19)22(25)23-18-8-12-20(13-9-18)29(26,27)24-15-14-16-4-2-3-5-21(16)24/h2-13H,14-15H2,1H3,(H,23,25)

InChI Key

TXWKLBBSOMDQHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01813965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.06

Polar Surface Area

62.392

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3564-4603 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3564-4603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3564-4603?
Check Price and Availability of 3564-4603, 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 3564-4603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3564-4603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3564-4603
  • 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 3564-4603 available by request