L123-0644 Screening compound: 4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

L123-0644 Screening compound: 4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
L123-0644 Screening compound: 4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L123-0644
4-[2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-cyclohepta[b]pyrrol-1-yl]-N-[2-(pyrrolidin-1-yl)ethyl]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

L123-0644

Molecular Formula

C28H32FN3O (C28 H32 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-n1c(-c(cc2)ccc2F)cc2c1CCCCC2)NCCN1CCCC1

InChI

InChI=1S/C28H32FN3O/c29-24-12-8-21(9-13-24)27-20-23-6-2-1-3-7-26(23)32(27)25-14-10-22(11-15-25)28(33)30-16-19-31-17-4-5-18-31/h8-15,20H,1-7,16-19H2,(H,30,33)

InChI Key

NVLCTWMXWUCMIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-5.63

Polar Surface Area

30.501

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

L123-0644 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 L123-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L123-0644?
Check Price and Availability of L123-0644, 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 L123-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L123-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L123-0644
  • 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 L123-0644 available by request