C200-1285 Screening compound: 3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]benzamide

C200-1285 Screening compound: 3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]benzamide
C200-1285 Screening compound: 3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1285
3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]benzamide

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

C200-1285

Molecular Formula

C28H25ClN4O3 (C28 H25 ClN4 O3)

Compound Name

3-(4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)-N~1~-[2-(1H-indol-3-yl)ethyl]benzamide

IUPAC name

3-{4-chloro-9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}-N-[2-(1H-indol-3-yl)ethyl]benzamide

SMILES

CC(CC1N2)(N(c3cc(C(NCCc4c[nH]c5c4cccc5)=O)ccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C28H25ClN4O3/c1-28-15-24(22-14-19(29)9-10-25(22)36-28)32-27(35)33(28)20-6-4-5-17(13-20)26(34)30-12-11-18-16-31-23-8-3-2-7-21(18)23/h2-10,13-14,16,24,31H,11-12,15H2,1H3,(H,30,34)(H,32,35)

InChI Key

DHVGRBJWNFPSNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-5.05

Polar Surface Area

67.202

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

C200-1285 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-1285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1285?
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What is the minimum amount of C200-1285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1285
  • 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 C200-1285 available by request