4478-7652 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-2-nitrobenzene-1-sulfonamide

4478-7652 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-2-nitrobenzene-1-sulfonamide
4478-7652 Screening compound: N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-2-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7652
N-[4-(2,3-dihydro-1H-indole-1-sulfonyl)phenyl]-2-nitrobenzene-1-sulfonamide

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

4478-7652

Molecular Formula

C20H17N3O6S2 (C20 H17 N3 O6 S2)

Compound Name

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

IUPAC name

N-[4-(23-dihydro-1H-indole-1-sulfonyl)phenyl]-2-nitrobenzene-1-sulfonamide

SMILES

[O-][N+](c(cccc1)c1S(Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C20H17N3O6S2/c24-23(25)19-7-3-4-8-20(19)30(26,27)21-16-9-11-17(12-10-16)31(28,29)22-14-13-15-5-1-2-6-18(15)22/h1-12,21H,13-14H2

InChI Key

PRPIDUWQFVQNJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01813953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-3.70

Polar Surface Area

105.487

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

-9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4478-7652 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 4478-7652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7652?
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What is the minimum amount of 4478-7652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7652
  • 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 4478-7652 available by request