K272-0286 Screening compound: ethyl 10-(4-fluorophenyl)-9-methyl-4-nitro-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0286 Screening compound: ethyl 10-(4-fluorophenyl)-9-methyl-4-nitro-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0286 Screening compound: ethyl 10-(4-fluorophenyl)-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 K272-0286
ethyl 10-(4-fluorophenyl)-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

K272-0286

Molecular Formula

C20H18FN3O5S (C20 H18 FN3 O5 S)

Compound Name

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

SMILES

CCOC(C(C1NC(N2c(cc3)ccc3F)=S)C2(C)Oc(cc2)c1cc2[N+]([O-])=O)=O

InChI

InChI=1S/C20H18FN3O5S/c1-3-28-18(25)16-17-14-10-13(24(26)27)8-9-15(14)29-20(16,2)23(19(30)22-17)12-6-4-11(21)5-7-12/h4-10,16-17H,3H2,1-2H3,(H,22,30)

InChI Key

FECBXBOAEJTKAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.44

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

3.933

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.03

Polar Surface Area

74.647

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-7.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.00

K272-0286 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K272-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0286?
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What is the minimum amount of K272-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0286
  • 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 K272-0286 available by request