L123-0548 Screening compound: 4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

L123-0548 Screening compound: 4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide
L123-0548 Screening compound: 4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-0548
4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-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

L123-0548

Molecular Formula

C25H27FN2O (C25 H27 FN2 O)

Compound Name

4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

IUPAC name

4-[2-(4-fluorophenyl)-1H4H5H6H7H8H-cyclohepta[b]pyrrol-1-yl]-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c(cc1)ccc1-n1c(-c(cc2)ccc2F)cc2c1CCCCC2)=O

InChI

InChI=1S/C25H27FN2O/c1-17(2)27-25(29)19-10-14-22(15-11-19)28-23-7-5-3-4-6-20(23)16-24(28)18-8-12-21(26)13-9-18/h8-17H,3-7H2,1-2H3,(H,27,29)

InChI Key

WKKQNMPWHAVUOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.34

Polar Surface Area

25.557

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

L123-0548 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L123-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-0548?
Check Price and Availability of L123-0548, 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 L123-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-0548
  • 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 L123-0548 available by request