K272-2685 Screening compound: 10-(4-chlorophenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2685 Screening compound: 10-(4-chlorophenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2685 Screening compound: 10-(4-chlorophenyl)-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 K272-2685
10-(4-chlorophenyl)-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

K272-2685

Molecular Formula

C17H14ClFN2OS (C17 H14 ClFN2 OS)

Compound Name

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

SMILES

CC(CC1N2)(N(c(cc3)ccc3Cl)C2=S)Oc(cc2)c1cc2F

InChI

InChI=1S/C17H14ClFN2OS/c1-17-9-14(13-8-11(19)4-7-15(13)22-17)20-16(23)21(17)12-5-2-10(18)3-6-12/h2-8,14H,9H2,1H3,(H,20,23)

InChI Key

DTRBABCEGJGKOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

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

4.284

Distribution Coefficient, logD

4.284

Water Solubility, LogSw

-4.68

Polar Surface Area

19.914

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with K272-2685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2685?
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What is the minimum amount of K272-2685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2685
  • 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 K272-2685 available by request