T040-0457 Screening compound: ethyl 4-{3-[2-(morpholin-4-yl)pyridin-4-yl]propanoyl}piperazine-1-carboxylate

T040-0457 Screening compound: ethyl 4-{3-[2-(morpholin-4-yl)pyridin-4-yl]propanoyl}piperazine-1-carboxylate
T040-0457 Screening compound: ethyl 4-{3-[2-(morpholin-4-yl)pyridin-4-yl]propanoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0457
ethyl 4-{3-[2-(morpholin-4-yl)pyridin-4-yl]propanoyl}piperazine-1-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

T040-0457

Molecular Formula

C19H28N4O4 (C19 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(CCc1cc(N2CCOCC2)ncc1)=O)=O

InChI

InChI=1S/C19H28N4O4/c1-2-27-19(25)23-9-7-22(8-10-23)18(24)4-3-16-5-6-20-17(15-16)21-11-13-26-14-12-21/h5-6,15H,2-4,7-14H2,1H3

InChI Key

PUTAZNMAPHCBIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.535

Distribution Coefficient, logD

1.497

Water Solubility, LogSw

-1.80

Polar Surface Area

59.012

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

T040-0457 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 T040-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0457?
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What is the minimum amount of T040-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0457
  • 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 T040-0457 available by request