L928-0447 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~3~-(4-pyridylmethyl)-3-piperidinecarboxamide

L928-0447 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~3~-(4-pyridylmethyl)-3-piperidinecarboxamide
L928-0447 Screening compound: 1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~3~-(4-pyridylmethyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L928-0447
1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~3~-(4-pyridylmethyl)-3-piperidinecarboxamide

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

L928-0447

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

1-[1]benzofuro[3,2-d]pyrimidin-4-yl-N~3~-(4-pyridylmethyl)-3-piperidinecarboxamide

IUPAC name

1-{8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-6-yl}-N-[(pyridin-4-yl)methyl]piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1c1ncnc2c1oc1c2cccc1)NCc1ccncc1

InChI

InChI=1S/C22H21N5O2/c28-22(24-12-15-7-9-23-10-8-15)16-4-3-11-27(13-16)21-20-19(25-14-26-21)17-5-1-2-6-18(17)29-20/h1-2,5-10,14,16H,3-4,11-13H2,(H,24,28)/t16-/m0/s1

InChI Key

NXSCFLFMRNPYOG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD20750409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.47

Polar Surface Area

66.114

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

L928-0447 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with L928-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L928-0447?
Check Price and Availability of L928-0447, 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 L928-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L928-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L928-0447
  • 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 L928-0447 available by request