C432-0315 Screening compound: 4-chloro-10-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C432-0315 Screening compound: 4-chloro-10-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C432-0315 Screening compound: 4-chloro-10-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C432-0315
4-chloro-10-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

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

C432-0315

Molecular Formula

C27H24ClN3O3 (C27 H24 ClN3 O3)

Compound Name

4-chloro-10-{4-[3,4-dihydro-1(2H)-quinolinylcarbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

4-chloro-9-methyl-10-[4-(1234-tetrahydroquinoline-1-carbonyl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c(cc3)ccc3C(N(CCC3)c4c3cccc4)=O)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C27H24ClN3O3/c1-27-16-22(21-15-19(28)10-13-24(21)34-27)29-26(33)31(27)20-11-8-18(9-12-20)25(32)30-14-4-6-17-5-2-3-7-23(17)30/h2-3,5,7-13,15,22H,4,6,14,16H2,1H3,(H,29,33)

InChI Key

PVTFUZFUKFGWDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.357

Distribution Coefficient, logD

5.357

Water Solubility, LogSw

-5.78

Polar Surface Area

48.390

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C432-0315 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Nucleic Acid Ligands (8311 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C432-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C432-0315?
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What is the minimum amount of C432-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C432-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C432-0315
  • 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 C432-0315 available by request