C200-1320 Screening compound: N~1~-(2-chlorobenzyl)-3-(6-ethoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

C200-1320 Screening compound: N~1~-(2-chlorobenzyl)-3-(6-ethoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide
C200-1320 Screening compound: N~1~-(2-chlorobenzyl)-3-(6-ethoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1320
N~1~-(2-chlorobenzyl)-3-(6-ethoxy-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)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

C200-1320

Molecular Formula

C27H26ClN3O4 (C27 H26 ClN3 O4)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-3-{6-ethoxy-9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzamide

SMILES

CCOc1cccc(C(C2)N3)c1OC2(C)N(c1cccc(C(NCc(cccc2)c2Cl)=O)c1)C3=O

InChI

InChI=1S/C27H26ClN3O4/c1-3-34-23-13-7-11-20-22-15-27(2,35-24(20)23)31(26(33)30-22)19-10-6-9-17(14-19)25(32)29-16-18-8-4-5-12-21(18)28/h4-14,22H,3,15-16H2,1-2H3,(H,29,32)(H,30,33)

InChI Key

HGEKKQDKPRXNJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.224

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.72

Polar Surface Area

64.385

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C200-1320 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 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

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-1320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1320?
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What is the minimum amount of C200-1320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1320
  • 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 C200-1320 available by request