C046-0323 Screening compound: N-[3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL]-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)ACETAMIDE

C046-0323 Screening compound: N-[3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL]-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)ACETAMIDE
C046-0323 Screening compound: N-[3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL]-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0323
N-[3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL]-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)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

C046-0323

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

N-[3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL]-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)ACETAMIDE

IUPAC name

n/a

SMILES

CN(CC1)CCN1C(CCNC(CN(C=Nc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C18H23N5O3/c1-21-8-10-22(11-9-21)17(25)6-7-19-16(24)12-23-13-20-15-5-3-2-4-14(15)18(23)26/h2-5,13H,6-12H2,1H3,(H,19,24)

InChI Key

ZEFQRNCENIVDFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.461

Distribution Coefficient, logD

-1.708

Water Solubility, LogSw

-2.32

Polar Surface Area

70.521

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C046-0323 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with C046-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C046-0323?
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What is the minimum amount of C046-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0323
  • 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 C046-0323 available by request