C109-0566 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide

C109-0566 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
C109-0566 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-3-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C109-0566
N-{3-[cyclohexyl(methyl)amino]propyl}-3-(3,4-dichlorophenyl)-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

C109-0566

Molecular Formula

C25H30Cl2N4O3 (C25 H30 Cl2 N4 O3)

Compound Name

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

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-3-(34-dichlorophenyl)-4-hydroxy-2-oxo-1234-tetrahydroquinazoline-4-carboxamide

SMILES

CN(CCCNC(C(c(cccc1)c1N1)(N(c(cc2)cc(Cl)c2Cl)C1=O)O)=O)C1CCCCC1

InChI

InChI=1S/C25H30Cl2N4O3/c1-30(17-8-3-2-4-9-17)15-7-14-28-23(32)25(34)19-10-5-6-11-22(19)29-24(33)31(25)18-12-13-20(26)21(27)16-18/h5-6,10-13,16-17,34H,2-4,7-9,14-15H2,1H3,(H,28,32)(H,29,33)/t25-/m1/s1

InChI Key

FANADRNBFJXVRO-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14720191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

2.067

Water Solubility, LogSw

-4.51

Polar Surface Area

69.984

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C109-0566 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C109-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C109-0566?
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What is the minimum amount of C109-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C109-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C109-0566
  • 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 C109-0566 available by request