K272-2701 Screening compound: 10-(3-chloro-4-methoxyphenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2701 Screening compound: 10-(3-chloro-4-methoxyphenyl)-4-fluoro-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2701 Screening compound: 10-(3-chloro-4-methoxyphenyl)-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 K272-2701
10-(3-chloro-4-methoxyphenyl)-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

K272-2701

Molecular Formula

C18H16ClFN2O2S (C18 H16 ClFN2 O2 S)

Compound Name

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

SMILES

CC(CC1N2)(N(c(cc3)cc(Cl)c3OC)C2=S)Oc(cc2)c1cc2F

InChI

InChI=1S/C18H16ClFN2O2S/c1-18-9-14(12-7-10(20)3-5-15(12)24-18)21-17(25)22(18)11-4-6-16(23-2)13(19)8-11/h3-8,14H,9H2,1-2H3,(H,21,25)

InChI Key

LPTBDLVCGNEHJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.48

Polar Surface Area

27.545

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with K272-2701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2701?
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What is the minimum amount of K272-2701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2701
  • 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 K272-2701 available by request