C200-1318 Screening compound: 6-ethoxy-9-methyl-10-(3-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C200-1318 Screening compound: 6-ethoxy-9-methyl-10-(3-{[3-methyl-4-(3-methylphenyl)piperazino]carbonyl}phenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C200-1318 Screening compound: 6-ethoxy-9-methyl-10-(3-{[3-methyl-4-(3-methylphenyl)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 C200-1318
6-ethoxy-9-methyl-10-(3-{[3-methyl-4-(3-methylphenyl)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

C200-1318

Molecular Formula

C32H36N4O4 (C32 H36 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(C(C2)N3)c1OC2(C)N(c1cc(C(N(CC2)CC(C)N2c2cc(C)ccc2)=O)ccc1)C3=O

InChI

InChI=1S/C32H36N4O4/c1-5-39-28-14-8-13-26-27-19-32(4,40-29(26)28)36(31(38)33-27)25-12-7-10-23(18-25)30(37)34-15-16-35(22(3)20-34)24-11-6-9-21(2)17-24/h6-14,17-18,22,27H,5,15-16,19-20H2,1-4H3,(H,33,38)

InChI Key

IHNGHKSQESZWQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.288

Distribution Coefficient, logD

5.288

Water Solubility, LogSw

-5.29

Polar Surface Area

59.098

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

C200-1318 in Drug Discovery

Included in Screening Libraries

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

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 C200-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1318?
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What is the minimum amount of C200-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1318
  • 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 C200-1318 available by request