L331-0161 Screening compound: 4-morpholino-N~2~-(3-pyridylmethyl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

L331-0161 Screening compound: 4-morpholino-N~2~-(3-pyridylmethyl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
L331-0161 Screening compound: 4-morpholino-N~2~-(3-pyridylmethyl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0161
4-morpholino-N~2~-(3-pyridylmethyl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

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

L331-0161

Molecular Formula

C21H19N5O3 (C21 H19 N5 O3)

Compound Name

4-morpholino-N~2~-(3-pyridylmethyl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

IUPAC name

6-(morpholin-4-yl)-N-[(pyridin-3-yl)methyl]-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaene-4-carboxamide

SMILES

O=C(c1nc(N2CCOCC2)c2oc(cccc3)c3c2n1)NCc1cnccc1

InChI

InChI=1S/C21H19N5O3/c27-21(23-13-14-4-3-7-22-12-14)19-24-17-15-5-1-2-6-16(15)29-18(17)20(25-19)26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H,23,27)

InChI Key

NDGIMOJEMQZGSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-2.37

Polar Surface Area

72.940

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L331-0161 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L331-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0161?
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What is the minimum amount of L331-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0161
  • 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 L331-0161 available by request