8017-3442 Screening compound: 1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methylindoline

8017-3442 Screening compound: 1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methylindoline
8017-3442 Screening compound: 1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methylindoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3442
1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methylindoline

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

8017-3442

Molecular Formula

C21H27NO3S (C21 H27 NO3 S)

Compound Name

1-[(2-ethoxy-5-isopropyl-4-methylphenyl)sulfonyl]-2-methylindoline

IUPAC name

1-[2-ethoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]-2-methyl-23-dihydro-1H-indole

SMILES

CCOc(cc(C)c(C(C)C)c1)c1S(N(C(C)C1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C21H27NO3S/c1-6-25-20-11-15(4)18(14(2)3)13-21(20)26(23,24)22-16(5)12-17-9-7-8-10-19(17)22/h7-11,13-14,16H,6,12H2,1-5H3/t16-/m0/s1

InChI Key

YVKDYRWRAQGPAG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06016115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.22

Polar Surface Area

38.683

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

-9.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

8017-3442 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8017-3442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3442?
Check Price and Availability of 8017-3442, 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 8017-3442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3442
  • 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 8017-3442 available by request