C436-0735 Screening compound: {1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-3-PIPERIDYL}[4-(4-FLUOROPHENYL)PIPERAZINO]METHANONE

C436-0735 Screening compound: {1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-3-PIPERIDYL}[4-(4-FLUOROPHENYL)PIPERAZINO]METHANONE
C436-0735 Screening compound: {1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-3-PIPERIDYL}[4-(4-FLUOROPHENYL)PIPERAZINO]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-0735
{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-3-PIPERIDYL}[4-(4-FLUOROPHENYL)PIPERAZINO]METHANONE

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

C436-0735

Molecular Formula

C21H27FN4O4S (C21 H27 FN4 O4 S)

Compound Name

{1-[(3,5-DIMETHYL-4-ISOXAZOLYL)SULFONYL]-3-PIPERIDYL}[4-(4-FLUOROPHENYL)PIPERAZINO]METHANONE

IUPAC name

n/a

SMILES

Cc1noc(C)c1S(N(CCC1)CC1C(N(CC1)CCN1c(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C21H27FN4O4S/c1-15-20(16(2)30-23-15)31(28,29)26-9-3-4-17(14-26)21(27)25-12-10-24(11-13-25)19-7-5-18(22)6-8-19/h5-8,17H,3-4,9-14H2,1-2H3/t17-/m0/s1

InChI Key

HSSDAGMNSGGMHS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14757781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.705

Distribution Coefficient, logD

1.705

Water Solubility, LogSw

-2.40

Polar Surface Area

73.830

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

C436-0735 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C436-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-0735?
Check Price and Availability of C436-0735, 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 C436-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-0735
  • 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 C436-0735 available by request