F952-3054 Screening compound: 3-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

F952-3054 Screening compound: 3-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide
F952-3054 Screening compound: 3-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F952-3054
3-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

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

F952-3054

Molecular Formula

C24H29N3O4S2 (C24 H29 N3 O4 S2)

Compound Name

3-[6-(azepane-1-sulfonyl)-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

IUPAC name

3-[6-(azepane-1-sulfonyl)-2-oxo-23-dihydro-13-benzothiazol-3-yl]-N-[(3-methylphenyl)methyl]propanamide

SMILES

Cc1cccc(CNC(CCN(c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2S2)C2=O)=O)c1

InChI

InChI=1S/C24H29N3O4S2/c1-18-7-6-8-19(15-18)17-25-23(28)11-14-27-21-10-9-20(16-22(21)32-24(27)29)33(30,31)26-12-4-2-3-5-13-26/h6-10,15-16H,2-5,11-14,17H2,1H3,(H,25,28)

InChI Key

PBGNMCCSMZXPPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27206081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.33

Polar Surface Area

72.303

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with F952-3054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F952-3054?
Check Price and Availability of F952-3054, 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 F952-3054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F952-3054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F952-3054
  • 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 F952-3054 available by request