C444-0169 Screening compound: 4-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole

C444-0169 Screening compound: 4-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole
C444-0169 Screening compound: 4-({3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0169
4-({3-[4-(furan-2-carbonyl)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

C444-0169

Molecular Formula

C21H23N5O5S2 (C21 H23 N5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)N(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C21H23N5O5S2/c27-20(24-9-11-25(12-10-24)21(28)17-6-3-13-31-17)15-4-2-8-26(14-15)33(29,30)18-7-1-5-16-19(18)23-32-22-16/h1,3,5-7,13,15H,2,4,8-12,14H2/t15-/m0/s1

InChI Key

UJLGDUOLPCWMTN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14758129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.338

Distribution Coefficient, logD

1.338

Water Solubility, LogSw

-2.05

Polar Surface Area

94.518

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C444-0169 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C444-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0169?
Check Price and Availability of C444-0169, 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 C444-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0169
  • 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 C444-0169 available by request