K272-1091 Screening compound: 6-ethoxy-N~13~-(4-methoxyphenyl)-9-methyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1091 Screening compound: 6-ethoxy-N~13~-(4-methoxyphenyl)-9-methyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1091 Screening compound: 6-ethoxy-N~13~-(4-methoxyphenyl)-9-methyl-10-(3-methylphenyl)-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 K272-1091
6-ethoxy-N~13~-(4-methoxyphenyl)-9-methyl-10-(3-methylphenyl)-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

K272-1091

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

6-ethoxy-N~13~-(4-methoxyphenyl)-9-methyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

IUPAC name

6-ethoxy-N-(4-methoxyphenyl)-9-methyl-10-(3-methylphenyl)-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CCOc1cccc(C(C2C(Nc(cc3)ccc3OC)=O)N3)c1OC2(C)N(c1cc(C)ccc1)C3=S

InChI

InChI=1S/C28H29N3O4S/c1-5-34-22-11-7-10-21-24-23(26(32)29-18-12-14-20(33-4)15-13-18)28(3,35-25(21)22)31(27(36)30-24)19-9-6-8-17(2)16-19/h6-16,23-24H,5H2,1-4H3,(H,29,32)(H,30,36)

InChI Key

FWNNWDTXEYXBPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.512

Water Solubility, LogSw

-5.35

Polar Surface Area

58.042

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K272-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1091?
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What is the minimum amount of K272-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1091
  • 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 K272-1091 available by request