G125-0279 Screening compound: ethyl 1-[5-(1H-indol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate

G125-0279 Screening compound: ethyl 1-[5-(1H-indol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate
G125-0279 Screening compound: ethyl 1-[5-(1H-indol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G125-0279
ethyl 1-[5-(1H-indol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate

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

G125-0279

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

ethyl 1-[5-(1H-indol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[5-(1H-indol-1-yl)thiophene-2-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1ccc(-n(cc2)c3c2cccc3)s1)=O)=O

InChI

InChI=1S/C21H22N2O3S/c1-2-26-21(25)16-7-5-12-22(14-16)20(24)18-9-10-19(27-18)23-13-11-15-6-3-4-8-17(15)23/h3-4,6,8-11,13,16H,2,5,7,12,14H2,1H3/t16-/m0/s1

InChI Key

LDJAKIHUHDCGCN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14982636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.07

Polar Surface Area

41.242

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G125-0279 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G125-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G125-0279?
Check Price and Availability of G125-0279, 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 G125-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G125-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G125-0279
  • 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 G125-0279 available by request