C201-0228 Screening compound: 9-methyl-10-[3-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C201-0228 Screening compound: 9-methyl-10-[3-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C201-0228 Screening compound: 9-methyl-10-[3-({4-[3-(trifluoromethyl)phenyl]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 C201-0228
9-methyl-10-[3-({4-[3-(trifluoromethyl)phenyl]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

C201-0228

Molecular Formula

C29H27F3N4O3 (C29 H27 F3 N4 O3)

Compound Name

9-methyl-10-[3-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

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

SMILES

CC(CC1N2)(N(c3cccc(C(N(CC4)CCN4c4cccc(C(F)(F)F)c4)=O)c3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C29H27F3N4O3/c1-28-18-24(23-10-2-3-11-25(23)39-28)33-27(38)36(28)22-9-4-6-19(16-22)26(37)35-14-12-34(13-15-35)21-8-5-7-20(17-21)29(30,31)32/h2-11,16-17,24H,12-15,18H2,1H3,(H,33,38)

InChI Key

LQCFTSNHTSYMPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.61

Polar Surface Area

52.985

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C201-0228 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 C201-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0228?
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What is the minimum amount of C201-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0228
  • 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 C201-0228 available by request