C625-0196 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methyl-1,2-oxazole-5-carbonyl)piperazine

C625-0196 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methyl-1,2-oxazole-5-carbonyl)piperazine
C625-0196 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methyl-1,2-oxazole-5-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C625-0196
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methyl-1,2-oxazole-5-carbonyl)piperazine

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

C625-0196

Molecular Formula

C17H18ClN3O4 (C17 H18 ClN3 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methyl-1,2-oxazole-5-carbonyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-chloro-3-methyl-12-oxazole-5-carbonyl)piperazine

SMILES

Cc1noc(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c1Cl

InChI

InChI=1S/C17H18ClN3O4/c1-11-15(18)16(25-19-11)17(22)21-6-4-20(5-7-21)9-12-2-3-13-14(8-12)24-10-23-13/h2-3,8H,4-7,9-10H2,1H3

InChI Key

KRMQTHMISKMHBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08106129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-3.31

Polar Surface Area

60.159

Acid Dissociation Constant (pKa)

28.19

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

C625-0196 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C625-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C625-0196?
Check Price and Availability of C625-0196, 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 C625-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C625-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C625-0196
  • 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 C625-0196 available by request