F849-0110 Screening compound: 3-{2-[4-(2-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL}-5-(1-PYRROLIDINYLCARBONYL)-1,3-BENZOXAZOL-2(3H)-ONE

F849-0110 Screening compound: 3-{2-[4-(2-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL}-5-(1-PYRROLIDINYLCARBONYL)-1,3-BENZOXAZOL-2(3H)-ONE
F849-0110 Screening compound: 3-{2-[4-(2-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL}-5-(1-PYRROLIDINYLCARBONYL)-1,3-BENZOXAZOL-2(3H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F849-0110
3-{2-[4-(2-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL}-5-(1-PYRROLIDINYLCARBONYL)-1,3-BENZOXAZOL-2(3H)-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

F849-0110

Molecular Formula

C24H25FN4O4 (C24 H25 FN4 O4)

Compound Name

3-{2-[4-(2-FLUOROPHENYL)PIPERAZINO]-2-OXOETHYL}-5-(1-PYRROLIDINYLCARBONYL)-1,3-BENZOXAZOL-2(3H)-ONE

IUPAC name

3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CN(c(cc(cc1)C(N2CCCC2)=O)c1O1)C1=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H25FN4O4/c25-18-5-1-2-6-19(18)26-11-13-27(14-12-26)22(30)16-29-20-15-17(7-8-21(20)33-24(29)32)23(31)28-9-3-4-10-28/h1-2,5-8,15H,3-4,9-14,16H2

InChI Key

RHISAOPKOTXZCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.66

Polar Surface Area

59.433

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F849-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F849-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F849-0110?
Check Price and Availability of F849-0110, 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 F849-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F849-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F849-0110
  • 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 F849-0110 available by request