5056-0049 Screening compound: 5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

5056-0049 Screening compound: 5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one
5056-0049 Screening compound: 5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5056-0049
5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-en-1-yl)-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

5056-0049

Molecular Formula

C22H22BrNO3 (C22 H22 BrNO3)

Compound Name

5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-(prop-2-en-1-yl)-23-dihydro-1H-indol-2-one

SMILES

CC(C)c(cc1)ccc1C(CC(c(cc(cc1)Br)c1N1CC=C)(C1=O)O)=O

InChI

InChI=1S/C22H22BrNO3/c1-4-11-24-19-10-9-17(23)12-18(19)22(27,21(24)26)13-20(25)16-7-5-15(6-8-16)14(2)3/h4-10,12,14,27H,1,11,13H2,2-3H3/t22-/m0/s1

InChI Key

GCIUISGTHXJFIP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03446375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.38

Polar Surface Area

44.293

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5056-0049 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5056-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5056-0049?
Check Price and Availability of 5056-0049, 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 5056-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5056-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5056-0049
  • 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 5056-0049 available by request