C326-0164 Screening compound: 4-chloro-10-{3-[(4-cyclohexylpiperazino)carbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0164 Screening compound: 4-chloro-10-{3-[(4-cyclohexylpiperazino)carbonyl]phenyl}-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0164 Screening compound: 4-chloro-10-{3-[(4-cyclohexylpiperazino)carbonyl]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 C326-0164
4-chloro-10-{3-[(4-cyclohexylpiperazino)carbonyl]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

C326-0164

Molecular Formula

C28H33ClN4O3 (C28 H33 ClN4 O3)

Compound Name

4-chloro-10-{3-[(4-cyclohexylpiperazino)carbonyl]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-10-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cc(C(N(CC4)CCN4C4CCCCC4)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C28H33ClN4O3/c1-28-18-24(23-17-20(29)10-11-25(23)36-28)30-27(35)33(28)22-9-5-6-19(16-22)26(34)32-14-12-31(13-15-32)21-7-3-2-4-8-21/h5-6,9-11,16-17,21,24H,2-4,7-8,12-15,18H2,1H3,(H,30,35)

InChI Key

CPNOJHLUNLTWFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.05

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.90

Polar Surface Area

52.819

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C326-0164 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C326-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0164?
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What is the minimum amount of C326-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0164
  • 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 C326-0164 available by request