4896-5017 Screening compound: (3Z)-5-bromo-3-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one

4896-5017 Screening compound: (3Z)-5-bromo-3-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
4896-5017 Screening compound: (3Z)-5-bromo-3-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-5017
(3Z)-5-bromo-3-[(2,4,5-trimethoxyphenyl)methylidene]-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

4896-5017

Molecular Formula

C18H16BrNO4 (C18 H16 BrNO4)

Compound Name

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

IUPAC name

(3Z)-5-bromo-3-[(245-trimethoxyphenyl)methylidene]-23-dihydro-1H-indol-2-one

SMILES

COc(cc1OC)c(/C=C(/c(cc(cc2)Br)c2N2)\C2=O)cc1OC

InChI

InChI=1S/C18H16BrNO4/c1-22-15-9-17(24-3)16(23-2)7-10(15)6-13-12-8-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)

InChI Key

KOBPIKQEKUWRBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03080358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.73

Polar Surface Area

48.102

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4896-5017 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4896-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-5017?
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What is the minimum amount of 4896-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-5017
  • 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 4896-5017 available by request