D348-0096 Screening compound: 1-(ethanesulfonyl)-N-(3-nitrophenyl)-2,3-dihydro-1H-indole-5-carboxamide

D348-0096 Screening compound: 1-(ethanesulfonyl)-N-(3-nitrophenyl)-2,3-dihydro-1H-indole-5-carboxamide
D348-0096 Screening compound: 1-(ethanesulfonyl)-N-(3-nitrophenyl)-2,3-dihydro-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D348-0096
1-(ethanesulfonyl)-N-(3-nitrophenyl)-2,3-dihydro-1H-indole-5-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

D348-0096

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

1-(ethanesulfonyl)-N-(3-nitrophenyl)-2,3-dihydro-1H-indole-5-carboxamide

IUPAC name

1-(ethanesulfonyl)-N-(3-nitrophenyl)-23-dihydro-1H-indole-5-carboxamide

SMILES

CCS(N(CC1)c(cc2)c1cc2C(Nc1cc([N+]([O-])=O)ccc1)=O)(=O)=O

InChI

InChI=1S/C17H17N3O5S/c1-2-26(24,25)19-9-8-12-10-13(6-7-16(12)19)17(21)18-14-4-3-5-15(11-14)20(22)23/h3-7,10-11H,2,8-9H2,1H3,(H,18,21)

InChI Key

GIUZMZHRNFIDLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.713

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-3.36

Polar Surface Area

88.395

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D348-0096 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D348-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D348-0096?
Check Price and Availability of D348-0096, 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 D348-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D348-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D348-0096
  • 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 D348-0096 available by request