C200-1269 Screening compound: 10-allyl-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-1269 Screening compound: 10-allyl-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-1269 Screening compound: 10-allyl-6-ethoxy-9-methyl-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 C200-1269
10-allyl-6-ethoxy-9-methyl-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

C200-1269

Molecular Formula

C16H20N2O2S (C16 H20 N2 O2 S)

Compound Name

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

IUPAC name

6-ethoxy-9-methyl-10-(prop-2-en-1-yl)-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCOc1cccc(C(C2)N3)c1OC2(C)N(CC=C)C3=S

InChI

InChI=1S/C16H20N2O2S/c1-4-9-18-15(21)17-12-10-16(18,3)20-14-11(12)7-6-8-13(14)19-5-2/h4,6-8,12H,1,5,9-10H2,2-3H3,(H,17,21)

InChI Key

IYBWRIDGXYXIOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

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

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.65

Polar Surface Area

27.670

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

C200-1269 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 C200-1269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1269?
Check Price and Availability of C200-1269, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-1269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1269
  • 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 C200-1269 available by request