C444-0128 Screening compound: 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

C444-0128 Screening compound: 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
C444-0128 Screening compound: 4-{[3-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0128
4-{[3-(4-benzylpiperidine-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

C444-0128

Molecular Formula

C24H28N4O3S2 (C24 H28 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1S(c1cccc2nsnc12)(=O)=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H28N4O3S2/c29-24(27-14-11-19(12-15-27)16-18-6-2-1-3-7-18)20-8-5-13-28(17-20)33(30,31)22-10-4-9-21-23(22)26-32-25-21/h1-4,6-7,9-10,19-20H,5,8,11-17H2/t20-/m0/s1

InChI Key

QBJVANPRFBPTRL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14758107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.34

Polar Surface Area

69.212

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

C444-0128 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Targeted Diversity Library (40567 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 C444-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0128?
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What is the minimum amount of C444-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0128
  • 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 C444-0128 available by request