F800-0878 Screening compound: 1-[6-(4-bromobenzenesulfonyl)pyridine-3-carbonyl]-4-(pyridin-2-yl)piperazine

F800-0878 Screening compound: 1-[6-(4-bromobenzenesulfonyl)pyridine-3-carbonyl]-4-(pyridin-2-yl)piperazine
F800-0878 Screening compound: 1-[6-(4-bromobenzenesulfonyl)pyridine-3-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F800-0878
1-[6-(4-bromobenzenesulfonyl)pyridine-3-carbonyl]-4-(pyridin-2-yl)piperazine

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

F800-0878

Molecular Formula

C21H19BrN4O3S (C21 H19 BrN4 O3 S)

Compound Name

1-[6-(4-bromobenzenesulfonyl)pyridine-3-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[6-(4-bromobenzenesulfonyl)pyridine-3-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

O=C(c(cc1)cnc1S(c(cc1)ccc1Br)(=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H19BrN4O3S/c22-17-5-7-18(8-6-17)30(28,29)20-9-4-16(15-24-20)21(27)26-13-11-25(12-14-26)19-3-1-2-10-23-19/h1-10,15H,11-14H2

InChI Key

GSOVKEGYPHKBML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.480

Water Solubility, LogSw

-3.56

Polar Surface Area

67.071

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F800-0878 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F800-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F800-0878?
Check Price and Availability of F800-0878, 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 F800-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F800-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F800-0878
  • 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 F800-0878 available by request