L331-0630 Screening compound: 4-(1-azepanyl)-N~2~-benzyl-N~2~-methyl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

L331-0630 Screening compound: 4-(1-azepanyl)-N~2~-benzyl-N~2~-methyl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
L331-0630 Screening compound: 4-(1-azepanyl)-N~2~-benzyl-N~2~-methyl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0630
4-(1-azepanyl)-N~2~-benzyl-N~2~-methyl[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

L331-0630

Molecular Formula

C25H26N4O2 (C25 H26 N4 O2)

Compound Name

4-(1-azepanyl)-N~2~-benzyl-N~2~-methyl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(c1nc(N2CCCCCC2)c2oc(cccc3)c3c2n1)=O

InChI

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

InChI Key

FEJKRLMOTNIAMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.673

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-5.62

Polar Surface Area

47.581

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L331-0630 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L331-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0630?
Check Price and Availability of L331-0630, 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 L331-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0630
  • 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 L331-0630 available by request