D348-0069 Screening compound: N-(4-bromo-2-fluorophenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide

D348-0069 Screening compound: N-(4-bromo-2-fluorophenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
D348-0069 Screening compound: N-(4-bromo-2-fluorophenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D348-0069
N-(4-bromo-2-fluorophenyl)-1-(ethanesulfonyl)-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

D348-0069

Molecular Formula

C17H16BrFN2O3S (C17 H16 BrFN2 O3 S)

Compound Name

N-(4-bromo-2-fluorophenyl)-1-(ethanesulfonyl)-2,3-dihydro-1H-indole-5-carboxamide

IUPAC name

N-(4-bromo-2-fluorophenyl)-1-(ethanesulfonyl)-23-dihydro-1H-indole-5-carboxamide

SMILES

CCS(N(CC1)c(cc2)c1cc2C(Nc(ccc(Br)c1)c1F)=O)(=O)=O

InChI

InChI=1S/C17H16BrFN2O3S/c1-2-25(23,24)21-8-7-11-9-12(3-6-16(11)21)17(22)20-15-5-4-13(18)10-14(15)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,22)

InChI Key

BYGMBAKAYFGREW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09673625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.89

Polar Surface Area

54.316

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D348-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D348-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D348-0069?
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What is the minimum amount of D348-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D348-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D348-0069
  • 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 D348-0069 available by request