5353-0911 Screening compound: 5-bromo-1-butyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one

5353-0911 Screening compound: 5-bromo-1-butyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
5353-0911 Screening compound: 5-bromo-1-butyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5353-0911
5-bromo-1-butyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-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

5353-0911

Molecular Formula

C20H19BrFNO3 (C20 H19 BrFNO3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C1(CC(c(cc2)ccc2F)=O)O)=O)c(cc2)c1cc2Br

InChI

InChI=1S/C20H19BrFNO3/c1-2-3-10-23-17-9-6-14(21)11-16(17)20(26,19(23)25)12-18(24)13-4-7-15(22)8-5-13/h4-9,11,26H,2-3,10,12H2,1H3/t20-/m0/s1

InChI Key

BZLMJQLVJWEWAM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05028720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.28

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

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.14

Polar Surface Area

44.293

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

5353-0911 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5353-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5353-0911?
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What is the minimum amount of 5353-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5353-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5353-0911
  • 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 5353-0911 available by request