L331-0464 Screening compound: N~2~-(4-ethylbenzyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

L331-0464 Screening compound: N~2~-(4-ethylbenzyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
L331-0464 Screening compound: N~2~-(4-ethylbenzyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0464
N~2~-(4-ethylbenzyl)-4-piperidino[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

L331-0464

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CNC(c2nc(N3CCCCC3)c3oc(cccc4)c4c3n2)=O)cc1

InChI

InChI=1S/C25H26N4O2/c1-2-17-10-12-18(13-11-17)16-26-25(30)23-27-21-19-8-4-5-9-20(19)31-22(21)24(28-23)29-14-6-3-7-15-29/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,26,30)

InChI Key

URILRRSUROMWRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

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

5.783

Distribution Coefficient, logD

5.783

Water Solubility, LogSw

-5.66

Polar Surface Area

55.513

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L331-0464 in Drug Discovery

Included in Screening Libraries

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 L331-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0464?
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What is the minimum amount of L331-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0464
  • 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 L331-0464 available by request