L010-0061 Screening compound: 4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

L010-0061 Screening compound: 4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
L010-0061 Screening compound: 4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L010-0061
4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-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

L010-0061

Molecular Formula

C25H26N4O (C25 H26 N4 O)

Compound Name

4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

IUPAC name

4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-(1234-tetrahydronaphthalen-1-yl)benzamide

SMILES

O=C(c(cc1)ccc1-c1ncnc(N2CCCC2)c1)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C25H26N4O/c30-25(28-22-9-5-7-18-6-1-2-8-21(18)22)20-12-10-19(11-13-20)23-16-24(27-17-26-23)29-14-3-4-15-29/h1-2,6,8,10-13,16-17,22H,3-5,7,9,14-15H2,(H,28,30)/t22-/m0/s1

InChI Key

ZIRBMWYSNAFDEZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27644466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.268

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.64

Polar Surface Area

47.316

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L010-0061 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous 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 L010-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L010-0061?
Check Price and Availability of L010-0061, 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 L010-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L010-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L010-0061
  • 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 L010-0061 available by request