C444-0236 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C444-0236 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
C444-0236 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-0236
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)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

C444-0236

Molecular Formula

C21H31N5O3S2 (C21 H31 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1CCN(CCCNC(C(CCC2)CN2S(c2cccc3nsnc23)(=O)=O)=O)CC1

InChI

InChI=1S/C21H31N5O3S2/c1-16-8-13-25(14-9-16)11-4-10-22-21(27)17-5-3-12-26(15-17)31(28,29)19-7-2-6-18-20(19)24-30-23-18/h2,6-7,16-17H,3-5,8-15H2,1H3,(H,22,27)/t17-/m0/s1

InChI Key

YMNGGYQCQYHGGS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14758153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

-0.314

Water Solubility, LogSw

-2.54

Polar Surface Area

81.073

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

C444-0236 in Drug Discovery

Included in Screening Libraries

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 C444-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-0236?
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What is the minimum amount of C444-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-0236
  • 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 C444-0236 available by request