L331-0302 Screening compound: N~2~-(3-bromobenzyl)-4-morpholino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

L331-0302 Screening compound: N~2~-(3-bromobenzyl)-4-morpholino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
L331-0302 Screening compound: N~2~-(3-bromobenzyl)-4-morpholino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0302
N~2~-(3-bromobenzyl)-4-morpholino[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

L331-0302

Molecular Formula

C22H19BrN4O3 (C22 H19 BrN4 O3)

Compound Name

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

IUPAC name

N-[(3-bromophenyl)methyl]-6-(morpholin-4-yl)-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)NCc1cccc(Br)c1

InChI

InChI=1S/C22H19BrN4O3/c23-15-5-3-4-14(12-15)13-24-22(28)20-25-18-16-6-1-2-7-17(16)30-19(18)21(26-20)27-8-10-29-11-9-27/h1-7,12H,8-11,13H2,(H,24,28)

InChI Key

GLKPCDWXMHJVJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

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

4.446

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.43

Polar Surface Area

63.422

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L331-0302 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 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

References: we are preparing a list of scientific research reports with L331-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0302?
Check Price and Availability of L331-0302, 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 L331-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0302
  • 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 L331-0302 available by request