C200-3558 Screening compound: 10-(2,4-difluorophenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C200-3558 Screening compound: 10-(2,4-difluorophenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C200-3558 Screening compound: 10-(2,4-difluorophenyl)-4-fluoro-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 C200-3558
10-(2,4-difluorophenyl)-4-fluoro-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

C200-3558

Molecular Formula

C17H13F3N2OS (C17 H13 F3 N2 OS)

Compound Name

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

IUPAC name

10-(24-difluorophenyl)-4-fluoro-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2)(N(c(ccc(F)c3)c3F)C2=S)Oc(cc2)c1cc2F

InChI

InChI=1S/C17H13F3N2OS/c1-17-8-13(11-6-9(18)3-5-15(11)23-17)21-16(24)22(17)14-4-2-10(19)7-12(14)20/h2-7,13H,8H2,1H3,(H,21,24)

InChI Key

DBNUHKTUUAERKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

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

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.16

Polar Surface Area

19.613

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

C200-3558 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 C200-3558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3558?
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What is the minimum amount of C200-3558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3558
  • 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 C200-3558 available by request