K978-0344 Screening compound: 4-{3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZINO]-3-OXOPROPYL}-4-AZATRICYCLO[5.2.1.02

K978-0344 Screening compound: 4-{3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZINO]-3-OXOPROPYL}-4-AZATRICYCLO[5.2.1.02
K978-0344 Screening compound: 4-{3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZINO]-3-OXOPROPYL}-4-AZATRICYCLO[5.2.1.02 alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0344
4-{3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZINO]-3-OXOPROPYL}-4-AZATRICYCLO[5.2.1.02

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

K978-0344

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

4-{3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZINO]-3-OXOPROPYL}-4-AZATRICYCLO[5.2.1.02

IUPAC name

n/a

SMILES

CC(CN(CC1)C(CCN(C(C2C3C4C=CC2C4)=O)C3=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C24H29N3O3/c1-15-4-3-5-19(12-15)26-11-10-25(14-16(26)2)20(28)8-9-27-23(29)21-17-6-7-18(13-17)22(21)24(27)30/h3-7,12,16-18,21-22H,8-11,13-14H2,1-2H3

InChI Key

RKSMZQZHMREODG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-2.49

Polar Surface Area

49.186

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

13.00

K978-0344 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K978-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0344?
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What is the minimum amount of K978-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0344
  • 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 K978-0344 available by request