C200-3559 Screening compound: 4-fluoro-9-methyl-10-(3-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-3559 Screening compound: 4-fluoro-9-methyl-10-(3-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-3559 Screening compound: 4-fluoro-9-methyl-10-(3-methylphenyl)-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 C200-3559
4-fluoro-9-methyl-10-(3-methylphenyl)-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

C200-3559

Molecular Formula

C18H17FN2OS (C18 H17 FN2 OS)

Compound Name

4-fluoro-9-methyl-10-(3-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

4-fluoro-9-methyl-10-(3-methylphenyl)-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2)(N(c3cc(C)ccc3)C2=S)Oc(cc2)c1cc2F

InChI

InChI=1S/C18H17FN2OS/c1-11-4-3-5-13(8-11)21-17(23)20-15-10-18(21,2)22-16-7-6-12(19)9-14(15)16/h3-9,15H,10H2,1-2H3,(H,20,23)

InChI Key

IPRMWIFSEBYCAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07655447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.44

Polar Surface Area

19.914

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with C200-3559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3559?
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What is the minimum amount of C200-3559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3559
  • 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 C200-3559 available by request