K272-0038 Screening compound: ethyl 4,6-dichloro-10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0038 Screening compound: ethyl 4,6-dichloro-10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0038 Screening compound: ethyl 4,6-dichloro-10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-0038
ethyl 4,6-dichloro-10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

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

K272-0038

Molecular Formula

C20H17Cl3N2O3S (C20 H17 Cl3 N2 O3 S)

Compound Name

ethyl 4,6-dichloro-10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

IUPAC name

ethyl 46-dichloro-10-(3-chlorophenyl)-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CCOC(C(C(c1cc(Cl)c2)NC(N3c4cc(Cl)ccc4)=S)C3(C)Oc1c2Cl)=O

InChI

InChI=1S/C20H17Cl3N2O3S/c1-3-27-18(26)15-16-13-8-11(22)9-14(23)17(13)28-20(15,2)25(19(29)24-16)12-6-4-5-10(21)7-12/h4-9,15-16H,3H2,1-2H3,(H,24,29)

InChI Key

QDOFBABMGLYSNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.888

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-5.99

Polar Surface Area

40.950

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-7.85

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with K272-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0038?
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What is the minimum amount of K272-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0038
  • 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 K272-0038 available by request