F818-0853 Screening compound: 3-ethyl-6-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

F818-0853 Screening compound: 3-ethyl-6-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one
F818-0853 Screening compound: 3-ethyl-6-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F818-0853
3-ethyl-6-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-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

F818-0853

Molecular Formula

C20H23N3O4S2 (C20 H23 N3 O4 S2)

Compound Name

3-ethyl-6-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-ethyl-6-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-13-benzothiazol-2-one

SMILES

CCN(c(ccc(S(N(CC1)CCN1c1cc(OC)ccc1)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C20H23N3O4S2/c1-3-23-18-8-7-17(14-19(18)28-20(23)24)29(25,26)22-11-9-21(10-12-22)15-5-4-6-16(13-15)27-2/h4-8,13-14H,3,9-12H2,1-2H3

InChI Key

GMXYLZIIZOMMIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27195132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-4.06

Polar Surface Area

58.323

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F818-0853 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 F818-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F818-0853?
Check Price and Availability of F818-0853, 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 F818-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F818-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F818-0853
  • 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 F818-0853 available by request