C798-0864 Screening compound: 5-[3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

C798-0864 Screening compound: 5-[3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid
C798-0864 Screening compound: 5-[3-({[2-(4-chlorophenyl)ethyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0864
5-[3-({[2-(4-chlorophenyl)ethyl]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

C798-0864

Molecular Formula

C22H19ClN2O2S (C22 H19 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c1ccc(-n2c(cccc3)c3c(CNCCc(cc3)ccc3Cl)c2)s1)=O

InChI

InChI=1S/C22H19ClN2O2S/c23-17-7-5-15(6-8-17)11-12-24-13-16-14-25(19-4-2-1-3-18(16)19)21-10-9-20(28-21)22(26)27/h1-10,14,24H,11-13H2,(H,26,27)

InChI Key

QMDZNVJLNSVYEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.858

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-4.66

Polar Surface Area

43.815

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

C798-0864 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C798-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0864?
Check Price and Availability of C798-0864, 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 C798-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0864
  • 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 C798-0864 available by request