C361-2542 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-(3-methylphenethyl)-4-piperidinecarboxamide

C361-2542 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-(3-methylphenethyl)-4-piperidinecarboxamide
C361-2542 Screening compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-(3-methylphenethyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2542
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-(3-methylphenethyl)-4-piperidinecarboxamide

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

C361-2542

Molecular Formula

C21H24N4O3S2 (C21 H24 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~4~-(3-methylphenethyl)-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

Cc1cccc(CCNC(C(CC2)CCN2S(c2cccc3nsnc23)(=O)=O)=O)c1

InChI

InChI=1S/C21H24N4O3S2/c1-15-4-2-5-16(14-15)8-11-22-21(26)17-9-12-25(13-10-17)30(27,28)19-7-3-6-18-20(19)24-29-23-18/h2-7,14,17H,8-13H2,1H3,(H,22,26)

InChI Key

IUSZBCVZEAXJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.119

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.29

Polar Surface Area

77.157

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

C361-2542 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C361-2542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2542?
Check Price and Availability of C361-2542, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C361-2542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2542
  • 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 C361-2542 available by request