C361-2549 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide

C361-2549 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide
C361-2549 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2549
1-(2,1,3-benzothiadiazole-4-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-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

C361-2549

Molecular Formula

C24H31N5O3S2 (C24 H31 N5 O3 S2)

Compound Name

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

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}piperidine-4-carboxamide

SMILES

CCN(CCCNC(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C24H31N5O3S2/c1-3-28(20-8-4-7-18(2)17-20)14-6-13-25-24(30)19-11-15-29(16-12-19)34(31,32)22-10-5-9-21-23(22)27-33-26-21/h4-5,7-10,17,19H,3,6,11-16H2,1-2H3,(H,25,30)

InChI Key

BXBDBXOLSKCLLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-3.71

Polar Surface Area

80.147

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C361-2549 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C361-2549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2549?
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What is the minimum amount of C361-2549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2549
  • 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 C361-2549 available by request