N058-0063 Screening compound: 12-ethyl-10-methyl-8,14-diazapentacyclo[9.5.2.0~1,9~.0~2,7~.0~14,17~]octadeca-2(7),3,5-triene

N058-0063 Screening compound: 12-ethyl-10-methyl-8,14-diazapentacyclo[9.5.2.0~1,9~.0~2,7~.0~14,17~]octadeca-2(7),3,5-triene
N058-0063 Screening compound: 12-ethyl-10-methyl-8,14-diazapentacyclo[9.5.2.0~1,9~.0~2,7~.0~14,17~]octadeca-2(7),3,5-triene alternative view

Chemical Structure Depiction of ChemDiv screening compound N058-0063
12-ethyl-10-methyl-8,14-diazapentacyclo[9.5.2.0~1,9~.0~2,7~.0~14,17~]octadeca-2(7),3,5-triene

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

N058-0063

Molecular Formula

C19H26N2 (C19 H26 N2)

Compound Name

12-ethyl-10-methyl-8,14-diazapentacyclo[9.5.2.0~1,9~.0~2,7~.0~14,17~]octadeca-2(7),3,5-triene

IUPAC name

12-ethyl-10-methyl-814-diazapentacyclo[9.5.2.0^{19}.0^{27}.0^{1417}]octadeca-2(7)35-triene

SMILES

CCC(CN1C(C2)C34CC1)C2C(C)C4Nc1c3cccc1

InChI

InChI=1S/C19H26N2/c1-3-13-11-21-9-8-19-15-6-4-5-7-16(15)20-18(19)12(2)14(13)10-17(19)21/h4-7,12-14,17-18,20H,3,8-11H2,1-2H3

InChI Key

KNZUAMRYQXIWSR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

282.43

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.76

Polar Surface Area

16.027

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

8.19

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

68.40

References: we are preparing a list of scientific research reports with N058-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N058-0063?
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What is the minimum amount of N058-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N058-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N058-0063
  • 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 N058-0063 available by request