L931-0693 Screening compound: 4-benzyl-2-{4-[2-(3-methylphenyl)acetyl]piperazin-1-yl}-3H,4H-pyrido[2,3-b]pyrazin-3-one

L931-0693 Screening compound: 4-benzyl-2-{4-[2-(3-methylphenyl)acetyl]piperazin-1-yl}-3H,4H-pyrido[2,3-b]pyrazin-3-one
L931-0693 Screening compound: 4-benzyl-2-{4-[2-(3-methylphenyl)acetyl]piperazin-1-yl}-3H,4H-pyrido[2,3-b]pyrazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L931-0693
4-benzyl-2-{4-[2-(3-methylphenyl)acetyl]piperazin-1-yl}-3H,4H-pyrido[2,3-b]pyrazin-3-one

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

L931-0693

Molecular Formula

C27H27N5O2 (C27 H27 N5 O2)

Compound Name

4-benzyl-2-{4-[2-(3-methylphenyl)acetyl]piperazin-1-yl}-3H,4H-pyrido[2,3-b]pyrazin-3-one

IUPAC name

4-benzyl-2-{4-[2-(3-methylphenyl)acetyl]piperazin-1-yl}-3H4H-pyrido[23-b]pyrazin-3-one

SMILES

Cc1cccc(CC(N(CC2)CCN2C2=Nc3cccnc3N(Cc3ccccc3)C2=O)=O)c1

InChI

InChI=1S/C27H27N5O2/c1-20-7-5-10-22(17-20)18-24(33)30-13-15-31(16-14-30)26-27(34)32(19-21-8-3-2-4-9-21)25-23(29-26)11-6-12-28-25/h2-12,17H,13-16,18-19H2,1H3

InChI Key

MCTJBDICBSBZPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-3.88

Polar Surface Area

52.480

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L931-0693 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L931-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L931-0693?
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What is the minimum amount of L931-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L931-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L931-0693
  • 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 L931-0693 available by request