L331-0428 Screening compound: N~2~-(2-methoxyphenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

L331-0428 Screening compound: N~2~-(2-methoxyphenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
L331-0428 Screening compound: N~2~-(2-methoxyphenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L331-0428
N~2~-(2-methoxyphenyl)-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

L331-0428

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(c1nc(N2CCCCC2)c2oc(cccc3)c3c2n1)=O

InChI

InChI=1S/C23H22N4O3/c1-29-18-12-6-4-10-16(18)24-23(28)21-25-19-15-9-3-5-11-17(15)30-20(19)22(26-21)27-13-7-2-8-14-27/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,24,28)

InChI Key

VTQXTNDYQMNVOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

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

5.131

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.19

Polar Surface Area

61.124

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with L331-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L331-0428?
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What is the minimum amount of L331-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L331-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L331-0428
  • 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 L331-0428 available by request