K783-4180 Screening compound: (2Z)-4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid

K783-4180 Screening compound: (2Z)-4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid
K783-4180 Screening compound: (2Z)-4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-4180
(2Z)-4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-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

K783-4180

Molecular Formula

C12H11NO3 (C12 H11 NO3)

Compound Name

(2Z)-4-(2,3-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid

IUPAC name

(2Z)-4-(23-dihydro-1H-indol-1-yl)-4-oxobut-2-enoic acid

SMILES

OC(/C=C\C(N(CC1)c2c1cccc2)=O)=O

InChI

InChI=1S/C12H11NO3/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13/h1-6H,7-8H2,(H,15,16)

InChI Key

XCYGCNJVPDEBPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.442

Distribution Coefficient, logD

-2.815

Water Solubility, LogSw

-1.63

Polar Surface Area

44.045

Acid Dissociation Constant (pKa)

3.14

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K783-4180 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K783-4180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-4180?
Check Price and Availability of K783-4180, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K783-4180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-4180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-4180
  • 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 K783-4180 available by request