K272-0894 Screening compound: N~13~-(4-chlorophenyl)-6-ethoxy-10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-0894 Screening compound: N~13~-(4-chlorophenyl)-6-ethoxy-10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-0894 Screening compound: N~13~-(4-chlorophenyl)-6-ethoxy-10-(4-fluorophenyl)-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 K272-0894
N~13~-(4-chlorophenyl)-6-ethoxy-10-(4-fluorophenyl)-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

K272-0894

Molecular Formula

C26H23ClFN3O3S (C26 H23 ClFN3 O3 S)

Compound Name

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

IUPAC name

N-(4-chlorophenyl)-6-ethoxy-10-(4-fluorophenyl)-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CCOc1cccc(C(C2C(Nc(cc3)ccc3Cl)=O)N3)c1OC2(C)N(c(cc1)ccc1F)C3=S

InChI

InChI=1S/C26H23ClFN3O3S/c1-3-33-20-6-4-5-19-22-21(24(32)29-17-11-7-15(27)8-12-17)26(2,34-23(19)20)31(25(35)30-22)18-13-9-16(28)10-14-18/h4-14,21-22H,3H2,1-2H3,(H,29,32)(H,30,35)

InChI Key

RWDMSEQDVHOJJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.656

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-5.87

Polar Surface Area

50.498

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K272-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0894?
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What is the minimum amount of K272-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0894
  • 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 K272-0894 available by request