T040-0126 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one

T040-0126 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one
T040-0126 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0126
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one

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

T040-0126

Molecular Formula

C22H27FN4O (C22 H27 FN4 O)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one

SMILES

O=C(CCc1cc(N2CCCC2)ncc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C22H27FN4O/c23-19-5-1-2-6-20(19)25-13-15-27(16-14-25)22(28)8-7-18-9-10-24-21(17-18)26-11-3-4-12-26/h1-2,5-6,9-10,17H,3-4,7-8,11-16H2

InChI Key

QNQBSIOBPQMWAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.534

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.78

Polar Surface Area

31.648

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

T040-0126 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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 T040-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0126?
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What is the minimum amount of T040-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0126
  • 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 T040-0126 available by request