C075-0126 Screening compound: 3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}methyl)-1-methyl-1H-indole-2-carboxylic acid

C075-0126 Screening compound: 3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}methyl)-1-methyl-1H-indole-2-carboxylic acid
C075-0126 Screening compound: 3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}methyl)-1-methyl-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C075-0126
3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}methyl)-1-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

C075-0126

Molecular Formula

C22H31N3O3 (C22 H31 N3 O3)

Compound Name

3-({[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}methyl)-1-methyl-1H-indole-2-carboxylic acid

IUPAC name

3-({[3-(35-dimethylpiperidin-1-yl)propyl]carbamoyl}methyl)-1-methyl-1H-indole-2-carboxylic acid

SMILES

CC1CN(CCCNC(Cc2c(C(O)=O)n(C)c3c2cccc3)=O)CC(C)C1

InChI

InChI=1S/C22H31N3O3/c1-15-11-16(2)14-25(13-15)10-6-9-23-20(26)12-18-17-7-4-5-8-19(17)24(3)21(18)22(27)28/h4-5,7-8,15-16H,6,9-14H2,1-3H3,(H,23,26)(H,27,28)

InChI Key

KQTBYQGYXKDMFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.100

Distribution Coefficient, logD

2.100

Water Solubility, LogSw

-2.59

Polar Surface Area

57.849

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

C075-0126 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C075-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C075-0126?
Check Price and Availability of C075-0126, 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 C075-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C075-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C075-0126
  • 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 C075-0126 available by request