C796-0692 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine

C796-0692 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine
C796-0692 Screening compound: 1-(5-chloro-2-methylphenyl)-4-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0692
1-(5-chloro-2-methylphenyl)-4-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)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

C796-0692

Molecular Formula

C30H30ClN3O3 (C30 H30 ClN3 O3)

Compound Name

1-(5-chloro-2-methylphenyl)-4-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-(4-{5-methyl-4-[(4-methylphenoxy)methyl]-13-oxazol-2-yl}benzoyl)piperazine

SMILES

Cc1c(COc2ccc(C)cc2)nc(-c(cc2)ccc2C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)o1

InChI

InChI=1S/C30H30ClN3O3/c1-20-4-12-26(13-5-20)36-19-27-22(3)37-29(32-27)23-7-9-24(10-8-23)30(35)34-16-14-33(15-17-34)28-18-25(31)11-6-21(28)2/h4-13,18H,14-17,19H2,1-3H3

InChI Key

MXJOFSQQWQTURB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.346

Distribution Coefficient, logD

6.346

Water Solubility, LogSw

-6.26

Polar Surface Area

45.196

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C796-0692 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C796-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0692?
Check Price and Availability of C796-0692, 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 C796-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0692
  • 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 C796-0692 available by request