K939-0049 Screening compound: (3Z)-3-[(4-bromophenyl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one

K939-0049 Screening compound: (3Z)-3-[(4-bromophenyl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one
K939-0049 Screening compound: (3Z)-3-[(4-bromophenyl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K939-0049
(3Z)-3-[(4-bromophenyl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one

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

K939-0049

Molecular Formula

C16H12BrNO (C16 H12 BrNO)

Compound Name

(3Z)-3-[(4-bromophenyl)methylidene]-5-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-3-[(4-bromophenyl)methylidene]-5-methyl-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1)cc(/C2=C/c(cc3)ccc3Br)c1NC2=O

InChI

InChI=1S/C16H12BrNO/c1-10-2-7-15-13(8-10)14(16(19)18-15)9-11-3-5-12(17)6-4-11/h2-9H,1H3,(H,18,19)

InChI Key

XIZVTPOJOYBLOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.18

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-4.31

Polar Surface Area

25.210

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

K939-0049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K939-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K939-0049?
Check Price and Availability of K939-0049, 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 K939-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K939-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K939-0049
  • 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 K939-0049 available by request