F557-0168 Screening compound: 3-[4-(4-bromobenzenesulfonyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole

F557-0168 Screening compound: 3-[4-(4-bromobenzenesulfonyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole
F557-0168 Screening compound: 3-[4-(4-bromobenzenesulfonyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F557-0168
3-[4-(4-bromobenzenesulfonyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole

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

F557-0168

Molecular Formula

C19H18BrN3O3S2 (C19 H18 BrN3 O3 S2)

Compound Name

3-[4-(4-bromobenzenesulfonyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole

IUPAC name

3-[4-(4-bromobenzenesulfonyl)piperazine-1-carbonyl]-5-methyl-12-benzothiazole

SMILES

Cc(cc1)cc2c1snc2C(N(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C19H18BrN3O3S2/c1-13-2-7-17-16(12-13)18(21-27-17)19(24)22-8-10-23(11-9-22)28(25,26)15-5-3-14(20)4-6-15/h2-7,12H,8-11H2,1H3

InChI Key

CBQACYOKVRBYHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.21

Polar Surface Area

59.396

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F557-0168 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F557-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F557-0168?
Check Price and Availability of F557-0168, 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 F557-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F557-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F557-0168
  • 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 F557-0168 available by request