K272-0967 Screening compound: 4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-0967 Screening compound: 4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-0967 Screening compound: 4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-0967
4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

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

K272-0967

Molecular Formula

C18H14Cl3N3O2S (C18 H14 Cl3 N3 O2 S)

Compound Name

4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

IUPAC name

46-dichloro-N-(4-chlorophenyl)-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C(c1cc(Cl)c2)N3)C(Nc(cc4)ccc4Cl)=O)(NC3=S)Oc1c2Cl

InChI

InChI=1S/C18H14Cl3N3O2S/c1-18-13(16(25)22-10-4-2-8(19)3-5-10)14(23-17(27)24-18)11-6-9(20)7-12(21)15(11)26-18/h2-7,13-14H,1H3,(H,22,25)(H2,23,24,27)

InChI Key

UOXQPIXHKYJGIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.879

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-5.01

Polar Surface Area

54.309

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K272-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0967?
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What is the minimum amount of K272-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0967
  • 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 K272-0967 available by request