K291-0097 Screening compound: (2E)-3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide

K291-0097 Screening compound: (2E)-3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide
K291-0097 Screening compound: (2E)-3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K291-0097
(2E)-3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide

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

K291-0097

Molecular Formula

C18H16BrN3OS (C18 H16 BrN3 OS)

Compound Name

(2E)-3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide

IUPAC name

(2E)-3-{[(3-bromophenyl)methyl]sulfanyl}-2-cyano-3-[(2-methylphenyl)amino]prop-2-enamide

SMILES

Cc(cccc1)c1N/C(/SCc1cccc(Br)c1)=C(\C(N)=O)/C#N

InChI

InChI=1S/C18H16BrN3OS/c1-12-5-2-3-8-16(12)22-18(15(10-20)17(21)23)24-11-13-6-4-7-14(19)9-13/h2-9,22H,11H2,1H3,(H2,21,23)

InChI Key

RBGCGOVAQFWWJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-4.04

Polar Surface Area

60.347

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

K291-0097 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K291-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K291-0097?
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What is the minimum amount of K291-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K291-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K291-0097
  • 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 K291-0097 available by request