K272-1911 Screening compound: N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1911 Screening compound: N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-10-[3-(trifluoromethyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1911 Screening compound: N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-10-[3-(trifluoromethyl)phenyl]-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 K272-1911
N~13~-(4-chlorophenyl)-9-methyl-11-thioxo-10-[3-(trifluoromethyl)phenyl]-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

K272-1911

Molecular Formula

C25H19ClF3N3O2S (C25 H19 ClF3 N3 O2 S)

Compound Name

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

IUPAC name

N-(4-chlorophenyl)-9-methyl-11-sulfanylidene-10-[3-(trifluoromethyl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc(cc3)ccc3Cl)=O)(N(c3cc(C(F)(F)F)ccc3)C2=S)Oc2c1cccc2

InChI

InChI=1S/C25H19ClF3N3O2S/c1-24-20(22(33)30-16-11-9-15(26)10-12-16)21(18-7-2-3-8-19(18)34-24)31-23(35)32(24)17-6-4-5-14(13-17)25(27,28)29/h2-13,20-21H,1H3,(H,30,33)(H,31,35)

InChI Key

DORPVPUUTDGTSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.034

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-6.24

Polar Surface Area

43.603

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

K272-1911 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K272-1911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1911?
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What is the minimum amount of K272-1911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1911
  • 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 K272-1911 available by request