6145-0419 Screening compound: 6,8-bis[(4-methylpiperidino)sulfonyl]-2H-naphtho[1,8-bc]thiophen-2-one

6145-0419 Screening compound: 6,8-bis[(4-methylpiperidino)sulfonyl]-2H-naphtho[1,8-bc]thiophen-2-one
6145-0419 Screening compound: 6,8-bis[(4-methylpiperidino)sulfonyl]-2H-naphtho[1,8-bc]thiophen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0419
6,8-bis[(4-methylpiperidino)sulfonyl]-2H-naphtho[1,8-bc]thiophen-2-one

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

6145-0419

Molecular Formula

C23H28N2O5S3 (C23 H28 N2 O5 S3)

Compound Name

6,8-bis[(4-methylpiperidino)sulfonyl]-2H-naphtho[1,8-bc]thiophen-2-one

IUPAC name

911-bis[(4-methylpiperidin-1-yl)sulfonyl]-2-thiatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaen-3-one

SMILES

CC(CC1)CCN1S(c(cc(c1cccc2c11)S(N3CCC(C)CC3)(=O)=O)c1SC2=O)(=O)=O

InChI

InChI=1S/C23H28N2O5S3/c1-15-6-10-24(11-7-15)32(27,28)19-14-20(33(29,30)25-12-8-16(2)9-13-25)22-21-17(19)4-3-5-18(21)23(26)31-22/h3-5,14-16H,6-13H2,1-2H3

InChI Key

ZVYHHMDBYBYDQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08161455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.277

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.53

Polar Surface Area

76.748

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

6145-0419 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6145-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0419?
Check Price and Availability of 6145-0419, 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 6145-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0419
  • 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 6145-0419 available by request