C444-0248 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(dipropylamino)propyl]piperidine-3-carboxamide

C444-0248 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(dipropylamino)propyl]piperidine-3-carboxamide
C444-0248 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(dipropylamino)propyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0248
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(dipropylamino)propyl]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

C444-0248

Molecular Formula

C21H33N5O3S2 (C21 H33 N5 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(dipropylamino)propyl]piperidine-3-carboxamide

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-[3-(dipropylamino)propyl]piperidine-3-carboxamide

SMILES

CCCN(CCC)CCCNC(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C21H33N5O3S2/c1-3-12-25(13-4-2)14-7-11-22-21(27)17-8-6-15-26(16-17)31(28,29)19-10-5-9-18-20(19)24-30-23-18/h5,9-10,17H,3-4,6-8,11-16H2,1-2H3,(H,22,27)/t17-/m0/s1

InChI Key

QNARXVIJNWXBHM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14758159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

-0.196

Water Solubility, LogSw

-2.85

Polar Surface Area

81.280

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

C444-0248 in Drug Discovery

Included in Screening Libraries

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 C444-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0248?
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What is the minimum amount of C444-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0248
  • 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 C444-0248 available by request