8017-4513 Screening compound: 1-(3-ethoxy-4-fluorobenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole

8017-4513 Screening compound: 1-(3-ethoxy-4-fluorobenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole
8017-4513 Screening compound: 1-(3-ethoxy-4-fluorobenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4513
1-(3-ethoxy-4-fluorobenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole

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

8017-4513

Molecular Formula

C17H18FNO3S (C17 H18 FNO3 S)

Compound Name

1-(3-ethoxy-4-fluorobenzenesulfonyl)-2-methyl-2,3-dihydro-1H-indole

IUPAC name

1-(3-ethoxy-4-fluorobenzenesulfonyl)-2-methyl-23-dihydro-1H-indole

SMILES

CCOc(cc(cc1)S(N(C(C)C2)c3c2cccc3)(=O)=O)c1F

InChI

InChI=1S/C17H18FNO3S/c1-3-22-17-11-14(8-9-15(17)18)23(20,21)19-12(2)10-13-6-4-5-7-16(13)19/h4-9,11-12H,3,10H2,1-2H3/t12-/m0/s1

InChI Key

HNVDTCONUXOSFJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06016957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.09

Polar Surface Area

38.683

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

8017-4513 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4513?
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What is the minimum amount of 8017-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4513
  • 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 8017-4513 available by request