8013-2093 Screening compound: methyl 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-methanesulfonamidopropanoate

8013-2093 Screening compound: methyl 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-methanesulfonamidopropanoate
8013-2093 Screening compound: methyl 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-methanesulfonamidopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2093
methyl 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-methanesulfonamidopropanoate

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

8013-2093

Molecular Formula

C13H13F3N2O4S (C13 H13 F3 N2 O4 S)

Compound Name

methyl 3,3,3-trifluoro-2-(1H-indol-3-yl)-2-methanesulfonamidopropanoate

IUPAC name

methyl 333-trifluoro-2-(1H-indol-3-yl)-2-methanesulfonamidopropanoate

SMILES

COC(C(C(F)(F)F)(c1c[nH]c2c1cccc2)NS(C)(=O)=O)=O

InChI

InChI=1S/C13H13F3N2O4S/c1-22-11(19)12(13(14,15)16,18-23(2,20)21)9-7-17-10-6-4-3-5-8(9)10/h3-7,17-18H,1-2H3/t12-/m1/s1

InChI Key

UKJZQBADXBTKON-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03763696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.320

Distribution Coefficient, logD

0.278

Water Solubility, LogSw

-2.86

Polar Surface Area

73.863

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8013-2093 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8013-2093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2093?
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What is the minimum amount of 8013-2093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2093
  • 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 8013-2093 available by request