C444-0183 Screening compound: 4-({3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C444-0183 Screening compound: 4-({3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C444-0183 Screening compound: 4-({3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0183
4-({3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

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

C444-0183

Molecular Formula

C22H24FN5O3S2 (C22 H24 FN5 O3 S2)

Compound Name

4-({3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

IUPAC name

4-({3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-213-benzothiadiazole

SMILES

O=C(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C22H24FN5O3S2/c23-17-6-1-2-8-19(17)26-11-13-27(14-12-26)22(29)16-5-4-10-28(15-16)33(30,31)20-9-3-7-18-21(20)25-32-24-18/h1-3,6-9,16H,4-5,10-15H2/t16-/m0/s1

InChI Key

WYOMFKZHHMOVQN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14758134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

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

2.944

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-3.42

Polar Surface Area

72.443

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C444-0183 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C444-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0183?
Check Price and Availability of C444-0183, 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 C444-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0183
  • 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 C444-0183 available by request