F557-0218 Screening compound: (4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}piperazino)(5-methyl-1,2-benzisothiazol-3-yl)methanone

F557-0218 Screening compound: (4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}piperazino)(5-methyl-1,2-benzisothiazol-3-yl)methanone
F557-0218 Screening compound: (4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}piperazino)(5-methyl-1,2-benzisothiazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F557-0218
(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}piperazino)(5-methyl-1,2-benzisothiazol-3-yl)methanone

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

F557-0218

Molecular Formula

C18H19F2N5O3S2 (C18 H19 F2 N5 O3 S2)

Compound Name

(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}piperazino)(5-methyl-1,2-benzisothiazol-3-yl)methanone

IUPAC name

3-(4-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]sulfonyl}piperazine-1-carbonyl)-5-methyl-12-benzothiazole

SMILES

Cc(n(C(F)F)nc1)c1S(N(CC1)CCN1C(c1nsc2c1cc(C)cc2)=O)(=O)=O

InChI

InChI=1S/C18H19F2N5O3S2/c1-11-3-4-14-13(9-11)16(22-29-14)17(26)23-5-7-24(8-6-23)30(27,28)15-10-21-25(12(15)2)18(19)20/h3-4,9-10,18H,5-8H2,1-2H3

InChI Key

CYWRBPAKZJFHCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.950

Distribution Coefficient, logD

1.950

Water Solubility, LogSw

-2.45

Polar Surface Area

72.982

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

F557-0218 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F557-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F557-0218?
Check Price and Availability of F557-0218, 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 F557-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F557-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F557-0218
  • 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 F557-0218 available by request