L227-0039 Screening compound: methyl 2-{1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-amido}benzoate

L227-0039 Screening compound: methyl 2-{1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-amido}benzoate
L227-0039 Screening compound: methyl 2-{1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L227-0039
methyl 2-{1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-amido}benzoate

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

L227-0039

Molecular Formula

C28H29N5O3 (C28 H29 N5 O3)

Compound Name

methyl 2-{1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-amido}benzoate

IUPAC name

methyl 2-{1-[5-methyl-2-(4-methylphenyl)pyrazolo[15-a]pyrimidin-7-yl]piperidine-4-amido}benzoate

SMILES

Cc(cc1)ccc1-c1nn2c(N(CC3)CCC3C(Nc(cccc3)c3C(OC)=O)=O)cc(C)nc2c1

InChI

InChI=1S/C28H29N5O3/c1-18-8-10-20(11-9-18)24-17-25-29-19(2)16-26(33(25)31-24)32-14-12-21(13-15-32)27(34)30-23-7-5-4-6-22(23)28(35)36-3/h4-11,16-17,21H,12-15H2,1-3H3,(H,30,34)

InChI Key

AEHGMRMLRAAXDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27236426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.189

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-4.97

Polar Surface Area

65.301

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L227-0039 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L227-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L227-0039?
Check Price and Availability of L227-0039, 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 L227-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L227-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L227-0039
  • 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 L227-0039 available by request