L390-2682 Screening compound: 2-{4-[7-(2H-1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl}-N-(4-methylphenyl)acetamide

L390-2682 Screening compound: 2-{4-[7-(2H-1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl}-N-(4-methylphenyl)acetamide
L390-2682 Screening compound: 2-{4-[7-(2H-1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L390-2682
2-{4-[7-(2H-1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl}-N-(4-methylphenyl)acetamide

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

L390-2682

Molecular Formula

C27H26N6O4 (C27 H26 N6 O4)

Compound Name

2-{4-[7-(2H-1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl}-N-(4-methylphenyl)acetamide

IUPAC name

2-{4-[7-(2H-13-benzodioxol-5-yl)pyrazolo[15-a]pyrimidine-3-carbonyl]piperazin-1-yl}-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CN(CC1)CCN1C(c1c2nccc(-c(cc3)cc4c3OCO4)n2nc1)=O)=O

InChI

InChI=1S/C27H26N6O4/c1-18-2-5-20(6-3-18)30-25(34)16-31-10-12-32(13-11-31)27(35)21-15-29-33-22(8-9-28-26(21)33)19-4-7-23-24(14-19)37-17-36-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,30,34)

InChI Key

HZGKVGMIPKXAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.34

Polar Surface Area

80.053

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L390-2682 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with L390-2682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L390-2682?
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What is the minimum amount of L390-2682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L390-2682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L390-2682
  • 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 L390-2682 available by request