F061-0965 Screening compound: 1-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-4-methylpiperazine

F061-0965 Screening compound: 1-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-4-methylpiperazine
F061-0965 Screening compound: 1-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F061-0965
1-[1-({5-[(1E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl}sulfonyl)piperidine-3-carbonyl]-4-methylpiperazine

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

F061-0965

Molecular Formula

C23H29FN4O4S (C23 H29 FN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(/C=C/c(cccc2)c2F)c1S(N(CCC1)CC1C(N1CCN(C)CC1)=O)(=O)=O

InChI

InChI=1S/C23H29FN4O4S/c1-17-22(21(32-25-17)10-9-18-6-3-4-8-20(18)24)33(30,31)28-11-5-7-19(16-28)23(29)27-14-12-26(2)13-15-27/h3-4,6,8-10,19H,5,7,11-16H2,1-2H3/t19-/m0/s1

InChI Key

AFWJQLVGTXOUQB-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27097680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-2.41

Polar Surface Area

73.523

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

F061-0965 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 F061-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F061-0965?
Check Price and Availability of F061-0965, 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 F061-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F061-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F061-0965
  • 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 F061-0965 available by request