C079-0043 Screening compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

C079-0043 Screening compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide
C079-0043 Screening compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C079-0043
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methylpiperidin-1-yl)sulfonyl]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

C079-0043

Molecular Formula

C21H21FN4O4S (C21 H21 FN4 O4 S)

Compound Name

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

IUPAC name

N-[5-(4-fluorophenyl)-134-oxadiazol-2-yl]-4-[(2-methylpiperidin-1-yl)sulfonyl]benzamide

SMILES

CC(CCCC1)N1S(c(cc1)ccc1C(Nc1nnc(-c(cc2)ccc2F)o1)=O)(=O)=O

InChI

InChI=1S/C21H21FN4O4S/c1-14-4-2-3-13-26(14)31(28,29)18-11-7-15(8-12-18)19(27)23-21-25-24-20(30-21)16-5-9-17(22)10-6-16/h5-12,14H,2-4,13H2,1H3,(H,23,25,27)/t14-/m0/s1

InChI Key

WHQABGONZMDYLC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04454726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.844

Water Solubility, LogSw

-3.58

Polar Surface Area

86.931

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

C079-0043 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C079-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C079-0043?
Check Price and Availability of C079-0043, 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 C079-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C079-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C079-0043
  • 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 C079-0043 available by request