K272-2391 Screening compound: 10-(4-fluorophenyl)-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2391 Screening compound: 10-(4-fluorophenyl)-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2391 Screening compound: 10-(4-fluorophenyl)-4,9-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 K272-2391
10-(4-fluorophenyl)-4,9-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

K272-2391

Molecular Formula

C18H17FN2OS (C18 H17 FN2 OS)

Compound Name

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

IUPAC name

10-(4-fluorophenyl)-49-dimethyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2)(N(c(cc3)ccc3F)C2=S)Oc2c1cc(C)cc2

InChI

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

InChI Key

MLIYYGOSNAUGKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086271

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

4.015

Distribution Coefficient, logD

4.015

Water Solubility, LogSw

-4.14

Polar Surface Area

19.914

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with K272-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2391?
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What is the minimum amount of K272-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2391
  • 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 K272-2391 available by request