C798-0862 Screening compound: 5-[3-({[(4-fluorophenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

C798-0862 Screening compound: 5-[3-({[(4-fluorophenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid
C798-0862 Screening compound: 5-[3-({[(4-fluorophenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0862
5-[3-({[(4-fluorophenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

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

C798-0862

Molecular Formula

C21H17FN2O2S (C21 H17 FN2 O2 S)

Compound Name

5-[3-({[(4-fluorophenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

IUPAC name

5-[3-({[(4-fluorophenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

SMILES

OC(c1ccc(-n2c(cccc3)c3c(CNCc(cc3)ccc3F)c2)s1)=O

InChI

InChI=1S/C21H17FN2O2S/c22-16-7-5-14(6-8-16)11-23-12-15-13-24(18-4-2-1-3-17(15)18)20-10-9-19(27-20)21(25)26/h1-10,13,23H,11-12H2,(H,25,26)

InChI Key

BIAAZBDJFHEDAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.18

Polar Surface Area

43.973

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C798-0862 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C798-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0862?
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What is the minimum amount of C798-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0862
  • 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 C798-0862 available by request