L123-0414 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide

L123-0414 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide
L123-0414 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-0414
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide

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

L123-0414

Molecular Formula

C31H36N2O2 (C31 H36 N2 O2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-[2-(3-methoxyphenyl)-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl]benzamide

SMILES

COc1cccc(-c2cc(CCCCC3)c3n2-c(cc2)ccc2C(NCCC2=CCCCC2)=O)c1

InChI

InChI=1S/C31H36N2O2/c1-35-28-13-8-12-25(21-28)30-22-26-11-6-3-7-14-29(26)33(30)27-17-15-24(16-18-27)31(34)32-20-19-23-9-4-2-5-10-23/h8-9,12-13,15-18,21-22H,2-7,10-11,14,19-20H2,1H3,(H,32,34)

InChI Key

LQKQYGXJBUEFJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.818

Distribution Coefficient, logD

6.818

Water Solubility, LogSw

-5.47

Polar Surface Area

33.888

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

References: we are preparing a list of scientific research reports with L123-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-0414?
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What is the minimum amount of L123-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-0414
  • 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 L123-0414 available by request