1495-0657 Screening compound: N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-nitro-1-benzenesulfonamide

1495-0657 Screening compound: N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-nitro-1-benzenesulfonamide
1495-0657 Screening compound: N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1495-0657
N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-nitro-1-benzenesulfonamide

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

1495-0657

Molecular Formula

C19H15N3O5S (C19 H15 N3 O5 S)

Compound Name

N~1~-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-nitro-1-benzenesulfonamide

IUPAC name

N-{2-ethyl-3-oxo-2-azatricyclo[6.3.1.0^{412}]dodeca-1(11)4(12)579-pentaen-9-yl}-4-nitrobenzene-1-sulfonamide

SMILES

CCN(c(c1c2cccc11)ccc1NS(c(cc1)ccc1[N+]([O-])=O)(=O)=O)C2=O

InChI

InChI=1S/C19H15N3O5S/c1-2-21-17-11-10-16(14-4-3-5-15(18(14)17)19(21)23)20-28(26,27)13-8-6-12(7-9-13)22(24)25/h3-11,20H,2H2,1H3

InChI Key

WATLXAJONUUEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-4.30

Polar Surface Area

88.765

Acid Dissociation Constant (pKa)

6.85

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1495-0657 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1495-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1495-0657?
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What is the minimum amount of 1495-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1495-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1495-0657
  • 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 1495-0657 available by request