C548-3567 Screening compound: N-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

C548-3567 Screening compound: N-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
C548-3567 Screening compound: N-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C548-3567
N-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

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

C548-3567

Molecular Formula

C21H30N4O3S2 (C21 H30 N4 O3 S2)

Compound Name

N-{[4-(3,5-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{[4-(35-dimethylpiperidine-1-carbonyl)cyclohexyl]methyl}-213-benzothiadiazole-4-sulfonamide

SMILES

CC(CC(C)C1)CN1C(C1CCC(CNS(c2cccc3nsnc23)(=O)=O)CC1)=O

InChI

InChI=1S/C21H30N4O3S2/c1-14-10-15(2)13-25(12-14)21(26)17-8-6-16(7-9-17)11-22-30(27,28)19-5-3-4-18-20(19)24-29-23-18/h3-5,14-17,22H,6-13H2,1-2H3

InChI Key

UTEWAPRTPQRRFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

4.326

Water Solubility, LogSw

-4.25

Polar Surface Area

79.657

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

C548-3567 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 C548-3567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C548-3567?
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What is the minimum amount of C548-3567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C548-3567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C548-3567
  • 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 C548-3567 available by request