K788-8191 Screening compound: 2-(4-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-yl)pyrimidine

K788-8191 Screening compound: 2-(4-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-yl)pyrimidine
K788-8191 Screening compound: 2-(4-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-yl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8191
2-(4-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-yl)pyrimidine

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

K788-8191

Molecular Formula

C20H19BrN4O4S (C20 H19 BrN4 O4 S)

Compound Name

2-(4-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-yl)pyrimidine

IUPAC name

2-(4-{5-[(4-bromobenzenesulfonyl)methyl]furan-2-carbonyl}piperazin-1-yl)pyrimidine

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Br)(=O)=O)o1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C20H19BrN4O4S/c21-15-2-5-17(6-3-15)30(27,28)14-16-4-7-18(29-16)19(26)24-10-12-25(13-11-24)20-22-8-1-9-23-20/h1-9H,10-14H2

InChI Key

UPWRZQYBARBWOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.47

Polar Surface Area

75.115

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K788-8191 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K788-8191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8191?
Check Price and Availability of K788-8191, 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 K788-8191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8191
  • 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 K788-8191 available by request