C046-0392 Screening compound: 3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-[4-(propan-2-yl)phenyl]propanamide

C046-0392 Screening compound: 3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-[4-(propan-2-yl)phenyl]propanamide
C046-0392 Screening compound: 3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-[4-(propan-2-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C046-0392
3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-[4-(propan-2-yl)phenyl]propanamide

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

C046-0392

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

3-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-[4-(propan-2-yl)phenyl]propanamide

IUPAC name

3-[2-(4-oxo-34-dihydroquinazolin-3-yl)acetamido]-N-[4-(propan-2-yl)phenyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(CCNC(CN(C=Nc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C22H24N4O3/c1-15(2)16-7-9-17(10-8-16)25-20(27)11-12-23-21(28)13-26-14-24-19-6-4-3-5-18(19)22(26)29/h3-10,14-15H,11-13H2,1-2H3,(H,23,28)(H,25,27)

InChI Key

QGTJZSZRFHNEJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.93

Polar Surface Area

73.801

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C046-0392 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C046-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C046-0392?
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What is the minimum amount of C046-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C046-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C046-0392
  • 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 C046-0392 available by request