C326-0157 Screening compound: 4-chloro-10-(3-{[4-(4-fluorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0157 Screening compound: 4-chloro-10-(3-{[4-(4-fluorophenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0157 Screening compound: 4-chloro-10-(3-{[4-(4-fluorophenyl)piperazino]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 C326-0157
4-chloro-10-(3-{[4-(4-fluorophenyl)piperazino]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

C326-0157

Molecular Formula

C28H26ClFN4O3 (C28 H26 ClFN4 O3)

Compound Name

4-chloro-10-(3-{[4-(4-fluorophenyl)piperazino]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-(4-fluorophenyl)piperazine-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)CCN4c(cc4)ccc4F)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C28H26ClFN4O3/c1-28-17-24(23-16-19(29)5-10-25(23)37-28)31-27(36)34(28)22-4-2-3-18(15-22)26(35)33-13-11-32(12-14-33)21-8-6-20(30)7-9-21/h2-10,15-16,24H,11-14,17H2,1H3,(H,31,36)

InChI Key

GKPTZVHHFZZJFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.766

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.99

Polar Surface Area

52.985

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

C326-0157 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C326-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0157?
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What is the minimum amount of C326-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0157
  • 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 C326-0157 available by request