4720-2079 Screening compound: 1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indol]-2'-one

4720-2079 Screening compound: 1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indol]-2'-one
4720-2079 Screening compound: 1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indol]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4720-2079
1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1',2'-dihydrospiro[1,3-dioxolane-2,3'-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

4720-2079

Molecular Formula

C21H22FN3O3 (C21 H22 FN3 O3)

Compound Name

1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1',2'-dihydrospiro[1,3-dioxolane-2,3'-indol]-2'-one

IUPAC name

1'-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1'2'-dihydrospiro[13-dioxolane-23'-indol]-2'-one

SMILES

O=C(C12OCCO1)N(CN(CC1)CCN1c(cccc1)c1F)c1c2cccc1

InChI

InChI=1S/C21H22FN3O3/c22-17-6-2-4-8-19(17)24-11-9-23(10-12-24)15-25-18-7-3-1-5-16(18)21(20(25)26)27-13-14-28-21/h1-8H,9-15H2

InChI Key

UOLFBVCRMYSWOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02984892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.329

Water Solubility, LogSw

-3.56

Polar Surface Area

40.993

Acid Dissociation Constant (pKa)

25.84

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4720-2079 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4720-2079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4720-2079?
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What is the minimum amount of 4720-2079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4720-2079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4720-2079
  • 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 4720-2079 available by request