K272-1294 Screening compound: N~13~-(2,4-dimethylphenyl)-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

K272-1294 Screening compound: N~13~-(2,4-dimethylphenyl)-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
K272-1294 Screening compound: N~13~-(2,4-dimethylphenyl)-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 K272-1294
N~13~-(2,4-dimethylphenyl)-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

K272-1294

Molecular Formula

C28H28FN3O3S (C28 H28 FN3 O3 S)

Compound Name

N~13~-(2,4-dimethylphenyl)-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-(24-dimethylphenyl)-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(Nc3c(C)cc(C)cc3)=O)N3)c1OC2(C)N(c(cc1)ccc1F)C3=S

InChI

InChI=1S/C28H28FN3O3S/c1-5-34-22-8-6-7-20-24-23(26(33)30-21-14-9-16(2)15-17(21)3)28(4,35-25(20)22)32(27(36)31-24)19-12-10-18(29)11-13-19/h6-15,23-24H,5H2,1-4H3,(H,30,33)(H,31,36)

InChI Key

SQDCRZQUIMNDBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.61

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

5.842

Distribution Coefficient, logD

5.841

Water Solubility, LogSw

-5.35

Polar Surface Area

49.800

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K272-1294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1294?
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What is the minimum amount of K272-1294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1294
  • 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 K272-1294 available by request