C079-0046 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C079-0046 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
C079-0046 Screening compound: 4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C079-0046
4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]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

C079-0046

Molecular Formula

C22H23FN4O4S (C22 H23 FN4 O4 S)

Compound Name

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

IUPAC name

4-[(35-dimethylpiperidin-1-yl)sulfonyl]-N-[5-(4-fluorophenyl)-134-oxadiazol-2-yl]benzamide

SMILES

CC(CC(C)C1)CN1S(c(cc1)ccc1C(Nc1nnc(-c(cc2)ccc2F)o1)=O)(=O)=O

InChI

InChI=1S/C22H23FN4O4S/c1-14-11-15(2)13-27(12-14)32(29,30)19-9-5-16(6-10-19)20(28)24-22-26-25-21(31-22)17-3-7-18(23)8-4-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,26,28)

InChI Key

BDAMVSRRCJKIGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.51

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

3.578

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.91

Polar Surface Area

86.736

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

C079-0046 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C079-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C079-0046?
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What is the minimum amount of C079-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C079-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C079-0046
  • 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 C079-0046 available by request