T040-0069 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

T040-0069 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide
T040-0069 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0069
N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

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

T040-0069

Molecular Formula

C21H27N3O3 (C21 H27 N3 O3)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

SMILES

COc(cc1)cc(CNC(CCc2cc(N3CCCC3)ncc2)=O)c1OC

InChI

InChI=1S/C21H27N3O3/c1-26-18-6-7-19(27-2)17(14-18)15-23-21(25)8-5-16-9-10-22-20(13-16)24-11-3-4-12-24/h6-7,9-10,13-14H,3-5,8,11-12,15H2,1-2H3,(H,23,25)

InChI Key

XWPXOZPPXUAHNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.50

Polar Surface Area

51.942

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

T040-0069 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with T040-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0069?
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What is the minimum amount of T040-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0069
  • 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 T040-0069 available by request