C326-0163 Screening compound: 4-chloro-9-methyl-10-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0163 Screening compound: 4-chloro-9-methyl-10-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0163 Screening compound: 4-chloro-9-methyl-10-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)-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 C326-0163
4-chloro-9-methyl-10-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)-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

C326-0163

Molecular Formula

C27H26ClN5O3 (C27 H26 ClN5 O3)

Compound Name

4-chloro-9-methyl-10-(3-{[4-(2-pyridyl)piperazino]carbonyl}phenyl)-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-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cc(C(N(CC4)CCN4c4ncccc4)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C27H26ClN5O3/c1-27-17-22(21-16-19(28)8-9-23(21)36-27)30-26(35)33(27)20-6-4-5-18(15-20)25(34)32-13-11-31(12-14-32)24-7-2-3-10-29-24/h2-10,15-16,22H,11-14,17H2,1H3,(H,30,35)

InChI Key

CYNZBXQOZWRHKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.68

Polar Surface Area

61.497

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

C326-0163 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C326-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0163?
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What is the minimum amount of C326-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0163
  • 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 C326-0163 available by request