C109-0479 Screening compound: N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0479 Screening compound: N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0479 Screening compound: N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0479
N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

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

C109-0479

Molecular Formula

C23H29ClN4O3 (C23 H29 ClN4 O3)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-3-(4-chlorophenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CCCCN(C)CCCNC(C(c(cccc1)c1N1)(N(c(cc2)ccc2Cl)C1=O)O)=O

InChI

InChI=1S/C23H29ClN4O3/c1-3-4-15-27(2)16-7-14-25-21(29)23(31)19-8-5-6-9-20(19)26-22(30)28(23)18-12-10-17(24)11-13-18/h5-6,8-13,31H,3-4,7,14-16H2,1-2H3,(H,25,29)(H,26,30)/t23-/m1/s1

InChI Key

NZDSMFKKPRVUTA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14720180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-4.02

Polar Surface Area

71.291

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C109-0479 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C109-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0479?
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What is the minimum amount of C109-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0479
  • 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 C109-0479 available by request