T040-0048 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one

T040-0048 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one
T040-0048 Screening compound: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0048
1-[4-(4-methoxyphenyl)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

T040-0048

Molecular Formula

C23H30N4O2 (C23 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CCc1cc(N2CCCC2)ncc1)=O

InChI

InChI=1S/C23H30N4O2/c1-29-21-7-5-20(6-8-21)25-14-16-27(17-15-25)23(28)9-4-19-10-11-24-22(18-19)26-12-2-3-13-26/h5-8,10-11,18H,2-4,9,12-17H2,1H3

InChI Key

RSAWPVMOQNYKMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.460

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.66

Polar Surface Area

39.493

Acid Dissociation Constant (pKa)

23.39

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

T040-0048 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T040-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0048?
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What is the minimum amount of T040-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0048
  • 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 T040-0048 available by request