L011-0106 Screening compound: N~1~-[2-(1-azepanyl)ethyl]-3-[6-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide

L011-0106 Screening compound: N~1~-[2-(1-azepanyl)ethyl]-3-[6-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide
L011-0106 Screening compound: N~1~-[2-(1-azepanyl)ethyl]-3-[6-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L011-0106
N~1~-[2-(1-azepanyl)ethyl]-3-[6-(1-pyrrolidinyl)-4-pyrimidinyl]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

L011-0106

Molecular Formula

C23H31N5O (C23 H31 N5 O)

Compound Name

N~1~-[2-(1-azepanyl)ethyl]-3-[6-(1-pyrrolidinyl)-4-pyrimidinyl]benzamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-3-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

SMILES

O=C(c1cc(-c2ncnc(N3CCCC3)c2)ccc1)NCCN1CCCCCC1

InChI

InChI=1S/C23H31N5O/c29-23(24-10-15-27-11-3-1-2-4-12-27)20-9-7-8-19(16-20)21-17-22(26-18-25-21)28-13-5-6-14-28/h7-9,16-18H,1-6,10-15H2,(H,24,29)

InChI Key

WJGDYJFAJVDYPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27226331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.94

Polar Surface Area

51.627

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

L011-0106 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L011-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L011-0106?
Check Price and Availability of L011-0106, 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 L011-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L011-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L011-0106
  • 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 L011-0106 available by request