C753-1993 Screening compound: 1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid

C753-1993 Screening compound: 1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid
C753-1993 Screening compound: 1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-1993
1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-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

C753-1993

Molecular Formula

C26H32N2O2S (C26 H32 N2 O2 S)

Compound Name

1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid

IUPAC name

1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid

SMILES

OC(c1c(CNCCCSC2CCCCC2)c(cccc2)c2n1Cc1ccccc1)=O

InChI

InChI=1S/C26H32N2O2S/c29-26(30)25-23(18-27-16-9-17-31-21-12-5-2-6-13-21)22-14-7-8-15-24(22)28(25)19-20-10-3-1-4-11-20/h1,3-4,7-8,10-11,14-15,21,27H,2,5-6,9,12-13,16-19H2,(H,29,30)

InChI Key

KIXIQYKBZLECIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-4.59

Polar Surface Area

40.676

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C753-1993 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C753-1993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-1993?
Check Price and Availability of C753-1993, 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 C753-1993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-1993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-1993
  • 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 C753-1993 available by request