C795-0142 Screening compound: N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

C795-0142 Screening compound: N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
C795-0142 Screening compound: N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0142
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

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

C795-0142

Molecular Formula

C18H21N5O3S (C18 H21 N5 O3 S)

Compound Name

N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-[5-(26-dimethylpiperidin-1-yl)-134-thiadiazol-2-yl]-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

CC(CCCC1C)N1c1nnc(NC(CN(c(cccc2)c2O2)C2=O)=O)s1

InChI

InChI=1S/C18H21N5O3S/c1-11-6-5-7-12(2)23(11)17-21-20-16(27-17)19-15(24)10-22-13-8-3-4-9-14(13)26-18(22)25/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,19,20,24)

InChI Key

FIJFZOIAZIOVPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.188

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.72

Polar Surface Area

71.252

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

C795-0142 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C795-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0142?
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What is the minimum amount of C795-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0142
  • 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 C795-0142 available by request