8013-6608 Screening compound: 2-chloro-N~1~-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-nitro-1-benzenesulfonamide

8013-6608 Screening compound: 2-chloro-N~1~-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-nitro-1-benzenesulfonamide
8013-6608 Screening compound: 2-chloro-N~1~-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6608
2-chloro-N~1~-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-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

8013-6608

Molecular Formula

C17H15ClFN3O4S (C17 H15 ClFN3 O4 S)

Compound Name

2-chloro-N~1~-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-nitro-1-benzenesulfonamide

IUPAC name

2-chloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-nitrobenzene-1-sulfonamide

SMILES

Cc1c(CCNS(c(cc(cc2)[N+]([O-])=O)c2Cl)(=O)=O)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C17H15ClFN3O4S/c1-10-13(14-8-11(19)2-5-16(14)21-10)6-7-20-27(25,26)17-9-12(22(23)24)3-4-15(17)18/h2-5,8-9,20-21H,6-7H2,1H3

InChI Key

YTCPTPXFMYJTAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.37

Polar Surface Area

85.146

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8013-6608 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-6608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6608?
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What is the minimum amount of 8013-6608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6608
  • 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 8013-6608 available by request