T040-0115 Screening compound: ethyl 1-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanoyl}piperidine-4-carboxylate

T040-0115 Screening compound: ethyl 1-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanoyl}piperidine-4-carboxylate
T040-0115 Screening compound: ethyl 1-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0115
ethyl 1-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanoyl}piperidine-4-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

T040-0115

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

ethyl 1-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCc1cc(N2CCCC2)ncc1)=O)=O

InChI

InChI=1S/C20H29N3O3/c1-2-26-20(25)17-8-13-23(14-9-17)19(24)6-5-16-7-10-21-18(15-16)22-11-3-4-12-22/h7,10,15,17H,2-6,8-9,11-14H2,1H3

InChI Key

IEOVLJJKCDAXBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-2.71

Polar Surface Area

49.443

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

T040-0115 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with T040-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0115?
Check Price and Availability of T040-0115, 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 T040-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0115
  • 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 T040-0115 available by request