T040-0719 Screening compound: tert-butyl 4-{3-[2-(diethylamino)pyridin-4-yl]propanoyl}piperazine-1-carboxylate

T040-0719 Screening compound: tert-butyl 4-{3-[2-(diethylamino)pyridin-4-yl]propanoyl}piperazine-1-carboxylate
T040-0719 Screening compound: tert-butyl 4-{3-[2-(diethylamino)pyridin-4-yl]propanoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0719
tert-butyl 4-{3-[2-(diethylamino)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

T040-0719

Molecular Formula

C21H34N4O3 (C21 H34 N4 O3)

Compound Name

tert-butyl 4-{3-[2-(diethylamino)pyridin-4-yl]propanoyl}piperazine-1-carboxylate

IUPAC name

tert-butyl 4-{3-[2-(diethylamino)pyridin-4-yl]propanoyl}piperazine-1-carboxylate

SMILES

CCN(CC)c1nccc(CCC(N(CC2)CCN2C(OC(C)(C)C)=O)=O)c1

InChI

InChI=1S/C21H34N4O3/c1-6-23(7-2)18-16-17(10-11-22-18)8-9-19(26)24-12-14-25(15-13-24)20(27)28-21(3,4)5/h10-11,16H,6-9,12-15H2,1-5H3

InChI Key

ANQQNFSEJJJXJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.518

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.62

Polar Surface Area

49.497

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

T040-0719 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with T040-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0719?
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What is the minimum amount of T040-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0719
  • 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 T040-0719 available by request