C444-0255 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(methyl)amino]ethyl}piperidine-3-carboxamide

C444-0255 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(methyl)amino]ethyl}piperidine-3-carboxamide
C444-0255 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(methyl)amino]ethyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0255
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(methyl)amino]ethyl}piperidine-3-carboxamide

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

C444-0255

Molecular Formula

C19H29N5O3S2 (C19 H29 N5 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(methyl)amino]ethyl}piperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-{2-[butyl(methyl)amino]ethyl}piperidine-3-carboxamide

SMILES

CCCCN(C)CCNC(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C19H29N5O3S2/c1-3-4-11-23(2)13-10-20-19(25)15-7-6-12-24(14-15)29(26,27)17-9-5-8-16-18(17)22-28-21-16/h5,8-9,15H,3-4,6-7,10-14H2,1-2H3,(H,20,25)/t15-/m0/s1

InChI Key

YPSCATNELRCLEL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14758164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.019

Distribution Coefficient, logD

0.267

Water Solubility, LogSw

-2.67

Polar Surface Area

81.434

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

C444-0255 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Annotated Library (688 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C444-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0255?
Check Price and Availability of C444-0255, 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 C444-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0255
  • 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 C444-0255 available by request