K272-0638 Screening compound: ethyl 10-ethyl-9-methyl-4-nitro-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0638 Screening compound: ethyl 10-ethyl-9-methyl-4-nitro-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0638 Screening compound: ethyl 10-ethyl-9-methyl-4-nitro-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 K272-0638
ethyl 10-ethyl-9-methyl-4-nitro-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

K272-0638

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

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

IUPAC name

ethyl 10-ethyl-9-methyl-4-nitro-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CCN(C(C)(C(C1N2)C(OCC)=O)Oc(cc3)c1cc3[N+]([O-])=O)C2=S

InChI

InChI=1S/C16H19N3O5S/c1-4-18-15(25)17-13-10-8-9(19(21)22)6-7-11(10)24-16(18,3)12(13)14(20)23-5-2/h6-8,12-13H,4-5H2,1-3H3,(H,17,25)

InChI Key

MAJUSLPWTPYXJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.54

Polar Surface Area

75.255

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K272-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0638?
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What is the minimum amount of K272-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0638
  • 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 K272-0638 available by request