K272-0987 Screening compound: N~13~-(4-chlorophenyl)-4,9-dimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-0987 Screening compound: N~13~-(4-chlorophenyl)-4,9-dimethyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-0987 Screening compound: N~13~-(4-chlorophenyl)-4,9-dimethyl-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 K272-0987
N~13~-(4-chlorophenyl)-4,9-dimethyl-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

K272-0987

Molecular Formula

C19H18ClN3O2S (C19 H18 ClN3 O2 S)

Compound Name

N~13~-(4-chlorophenyl)-4,9-dimethyl-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)-49-dimethyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc(cc3)ccc3Cl)=O)(NC2=S)Oc2c1cc(C)cc2

InChI

InChI=1S/C19H18ClN3O2S/c1-10-3-8-14-13(9-10)16-15(19(2,25-14)23-18(26)22-16)17(24)21-12-6-4-11(20)5-7-12/h3-9,15-16H,1-2H3,(H,21,24)(H2,22,23,26)

InChI Key

SGASQZHAKQZCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.925

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.34

Polar Surface Area

54.625

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

26.30

K272-0987 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K272-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0987?
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What is the minimum amount of K272-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0987
  • 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 K272-0987 available by request