F061-0996 Screening compound: 1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

F061-0996 Screening compound: 1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
F061-0996 Screening compound: 1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-0996
1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

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

F061-0996

Molecular Formula

C25H25F2N3O4S (C25 H25 F2 N3 O4 S)

Compound Name

1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

IUPAC name

1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-12-oxazol-4-yl}sulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

SMILES

Cc1noc(/C=C/c(cccc2)c2F)c1S(N(CCC1)CC1C(NCc(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C25H25F2N3O4S/c1-17-24(23(34-29-17)13-10-19-5-2-3-7-22(19)27)35(32,33)30-14-4-6-20(16-30)25(31)28-15-18-8-11-21(26)12-9-18/h2-3,5,7-13,20H,4,6,14-16H2,1H3,(H,28,31)/t20-/m0/s1

InChI Key

YCSPTBOSFDGPFU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14938709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.44

Polar Surface Area

77.812

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

F061-0996 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F061-0996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-0996?
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What is the minimum amount of F061-0996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-0996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-0996
  • 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 F061-0996 available by request