F556-0288 Screening compound: 3-[4-(4-bromobenzoyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole

F556-0288 Screening compound: 3-[4-(4-bromobenzoyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole
F556-0288 Screening compound: 3-[4-(4-bromobenzoyl)piperazine-1-carbonyl]-5-methyl-1,2-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F556-0288
3-[4-(4-bromobenzoyl)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

F556-0288

Molecular Formula

C20H18BrN3O2S (C20 H18 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1snc2C(N(CC1)CCN1C(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C20H18BrN3O2S/c1-13-2-7-17-16(12-13)18(22-27-17)20(26)24-10-8-23(9-11-24)19(25)14-3-5-15(21)6-4-14/h2-7,12H,8-11H2,1H3

InChI Key

GCRPWKVYHWQQSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.05

Polar Surface Area

44.333

Acid Dissociation Constant (pKa)

26.25

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F556-0288 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F556-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F556-0288?
Check Price and Availability of F556-0288, 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 F556-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F556-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F556-0288
  • 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 F556-0288 available by request