8019-4900 Screening compound: 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indol-2-one

8019-4900 Screening compound: 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indol-2-one
8019-4900 Screening compound: 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4900
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-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

8019-4900

Molecular Formula

C25H20FNO3 (C25 H20 FNO3)

Compound Name

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indol-2-one

IUPAC name

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(1-oxo-1234-tetrahydronaphthalen-2-yl)-23-dihydro-1H-indol-2-one

SMILES

OC(C(CCc1c2cccc1)C2=O)(c(cccc1)c1N1Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C25H20FNO3/c26-18-12-9-16(10-13-18)15-27-22-8-4-3-7-20(22)25(30,24(27)29)21-14-11-17-5-1-2-6-19(17)23(21)28/h1-10,12-13,21,30H,11,14-15H2

InChI Key

KYGMCZAAGMBXLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.31

Polar Surface Area

43.395

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

8019-4900 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4900?
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What is the minimum amount of 8019-4900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4900
  • 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 8019-4900 available by request