K783-3259 Screening compound: (2Z)-3-{[3-(methylsulfanyl)phenyl]carbamoyl}prop-2-enoic acid

K783-3259 Screening compound: (2Z)-3-{[3-(methylsulfanyl)phenyl]carbamoyl}prop-2-enoic acid
K783-3259 Screening compound: (2Z)-3-{[3-(methylsulfanyl)phenyl]carbamoyl}prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3259
(2Z)-3-{[3-(methylsulfanyl)phenyl]carbamoyl}prop-2-enoic acid

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

K783-3259

Molecular Formula

C11H11NO3S (C11 H11 NO3 S)

Compound Name

(2Z)-3-{[3-(methylsulfanyl)phenyl]carbamoyl}prop-2-enoic acid

IUPAC name

(2Z)-3-{[3-(methylsulfanyl)phenyl]carbamoyl}prop-2-enoic acid

SMILES

CSc1cc(NC(/C=C\C(O)=O)=O)ccc1

InChI

InChI=1S/C11H11NO3S/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)

InChI Key

GRTHEGPBJDWTID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

237.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

-2.463

Water Solubility, LogSw

-2.67

Polar Surface Area

51.772

Acid Dissociation Constant (pKa)

2.94

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K783-3259 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K783-3259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3259?
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What is the minimum amount of K783-3259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3259
  • 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 K783-3259 available by request