C200-1277 Screening compound: 10-allyl-6-ethoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-1277 Screening compound: 10-allyl-6-ethoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-1277 Screening compound: 10-allyl-6-ethoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1277
10-allyl-6-ethoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

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

C200-1277

Molecular Formula

C17H22N2O2S (C17 H22 N2 O2 S)

Compound Name

10-allyl-6-ethoxy-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

6-ethoxy-913-dimethyl-10-(prop-2-en-1-yl)-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCOc1cccc(C(C2C)N3)c1OC2(C)N(CC=C)C3=S

InChI

InChI=1S/C17H22N2O2S/c1-5-10-19-16(22)18-14-11(3)17(19,4)21-15-12(14)8-7-9-13(15)20-6-2/h5,7-9,11,14H,1,6,10H2,2-4H3,(H,18,22)

InChI Key

PSLZNPFHXRMVFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-4.05

Polar Surface Area

28.268

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.10

C200-1277 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C200-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1277?
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What is the minimum amount of C200-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1277
  • 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 C200-1277 available by request