C753-1536 Screening compound: 3-[(cycloheptylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-1H-indole-2-carboxylic acid

C753-1536 Screening compound: 3-[(cycloheptylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-1H-indole-2-carboxylic acid
C753-1536 Screening compound: 3-[(cycloheptylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C753-1536
3-[(cycloheptylamino)methyl]-1-[(2,5-dimethylphenyl)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

C753-1536

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

3-[(cycloheptylamino)methyl]-1-[(2,5-dimethylphenyl)methyl]-1H-indole-2-carboxylic acid

IUPAC name

3-[(cycloheptylamino)methyl]-1-[(25-dimethylphenyl)methyl]-1H-indole-2-carboxylic acid

SMILES

Cc1cc(Cn2c(C(O)=O)c(CNC3CCCCCC3)c3c2cccc3)c(C)cc1

InChI

InChI=1S/C26H32N2O2/c1-18-13-14-19(2)20(15-18)17-28-24-12-8-7-11-22(24)23(25(28)26(29)30)16-27-21-9-5-3-4-6-10-21/h7-8,11-15,21,27H,3-6,9-10,16-17H2,1-2H3,(H,29,30)

InChI Key

RKIBYWXCDFMFKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

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

6.165

Distribution Coefficient, logD

6.165

Water Solubility, LogSw

-5.28

Polar Surface Area

40.490

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

11.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C753-1536 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C753-1536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C753-1536?
Check Price and Availability of C753-1536, 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 C753-1536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C753-1536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C753-1536
  • 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 C753-1536 available by request