8017-0277 Screening compound: 2-fluoro-N~1~-{2-[4-(methylsulfonyl)piperazino]phenyl}benzamide

8017-0277 Screening compound: 2-fluoro-N~1~-{2-[4-(methylsulfonyl)piperazino]phenyl}benzamide
8017-0277 Screening compound: 2-fluoro-N~1~-{2-[4-(methylsulfonyl)piperazino]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0277
2-fluoro-N~1~-{2-[4-(methylsulfonyl)piperazino]phenyl}benzamide

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

8017-0277

Molecular Formula

C18H20FN3O3S (C18 H20 FN3 O3 S)

Compound Name

2-fluoro-N~1~-{2-[4-(methylsulfonyl)piperazino]phenyl}benzamide

IUPAC name

2-fluoro-N-[2-(4-methanesulfonylpiperazin-1-yl)phenyl]benzamide

SMILES

CS(N(CC1)CCN1c(cccc1)c1NC(c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C18H20FN3O3S/c1-26(24,25)22-12-10-21(11-13-22)17-9-5-4-8-16(17)20-18(23)14-6-2-3-7-15(14)19/h2-9H,10-13H2,1H3,(H,20,23)

InChI Key

OODRQHWSACFFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05238748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-3.12

Polar Surface Area

57.066

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8017-0277 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0277?
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What is the minimum amount of 8017-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0277
  • 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 8017-0277 available by request