4157-2367 Screening compound: methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate

4157-2367 Screening compound: methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate
4157-2367 Screening compound: methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-2367
methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate

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

4157-2367

Molecular Formula

C12H9F4NO2S (C12 H9 F4 NO2 S)

Compound Name

methyl 2,3,3,3-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate

IUPAC name

methyl 2333-tetrafluoro-2-(1H-indol-3-ylsulfanyl)propanoate

SMILES

COC(C(C(F)(F)F)(F)Sc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C12H9F4NO2S/c1-19-10(18)11(13,12(14,15)16)20-9-6-17-8-5-3-2-4-7(8)9/h2-6,17H,1H3/t11-/m1/s1

InChI Key

JDNJCEPNLOWAEZ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00788317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.010

Water Solubility, LogSw

-4.27

Polar Surface Area

31.283

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4157-2367 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4157-2367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-2367?
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What is the minimum amount of 4157-2367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-2367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-2367
  • 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 4157-2367 available by request