T040-0014 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-pyrrolidinyl)-4-pyridyl]propanamide

T040-0014 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-pyrrolidinyl)-4-pyridyl]propanamide
T040-0014 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-pyrrolidinyl)-4-pyridyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T040-0014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-pyrrolidinyl)-4-pyridyl]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

T040-0014

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-pyrrolidinyl)-4-pyridyl]propanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-[2-(pyrrolidin-1-yl)pyridin-4-yl]propanamide

SMILES

O=C(CCc1cc(N2CCCC2)ncc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H23N3O3/c24-20(22-16-4-5-17-18(14-16)26-12-11-25-17)6-3-15-7-8-21-19(13-15)23-9-1-2-10-23/h4-5,7-8,13-14H,1-3,6,9-12H2,(H,22,24)

InChI Key

CHLJJUBNEZNEMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

2.386

Water Solubility, LogSw

-3.03

Polar Surface Area

51.269

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

T040-0014 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with T040-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T040-0014?
Check Price and Availability of T040-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T040-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T040-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T040-0014
  • 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 T040-0014 available by request