8010-4968 Screening compound: 5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-2,3-dihydro-1H-indol-2-one

8010-4968 Screening compound: 5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-2,3-dihydro-1H-indol-2-one
8010-4968 Screening compound: 5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4968
5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-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

8010-4968

Molecular Formula

C18H16BrNO4 (C18 H16 BrNO4)

Compound Name

5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

5-bromo-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methyl-23-dihydro-1H-indol-2-one

SMILES

CN(C(C1(CC(c(cc2)ccc2OC)=O)O)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C18H16BrNO4/c1-20-15-8-5-12(19)9-14(15)18(23,17(20)22)10-16(21)11-3-6-13(24-2)7-4-11/h3-9,23H,10H2,1-2H3/t18-/m0/s1

InChI Key

XQZPZQVYZYAMID-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02110495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.516

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-2.86

Polar Surface Area

51.624

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8010-4968 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 8010-4968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4968?
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What is the minimum amount of 8010-4968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4968
  • 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 8010-4968 available by request