8335-0130 Screening compound: 5-(benzenesulfonyl)-N4-(4-bromophenyl)pyrimidine-2,4,6-triamine

8335-0130 Screening compound: 5-(benzenesulfonyl)-N4-(4-bromophenyl)pyrimidine-2,4,6-triamine
8335-0130 Screening compound: 5-(benzenesulfonyl)-N4-(4-bromophenyl)pyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8335-0130
5-(benzenesulfonyl)-N4-(4-bromophenyl)pyrimidine-2,4,6-triamine

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

8335-0130

Molecular Formula

C16H14BrN5O2S (C16 H14 BrN5 O2 S)

Compound Name

5-(benzenesulfonyl)-N4-(4-bromophenyl)pyrimidine-2,4,6-triamine

IUPAC name

5-(benzenesulfonyl)-N4-(4-bromophenyl)pyrimidine-246-triamine

SMILES

Nc(nc(N)nc1Nc(cc2)ccc2Br)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C16H14BrN5O2S/c17-10-6-8-11(9-7-10)20-15-13(14(18)21-16(19)22-15)25(23,24)12-4-2-1-3-5-12/h1-9H,(H5,18,19,20,21,22)

InChI Key

FLQKAPRXLFIVKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07758059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.993

Distribution Coefficient, logD

2.993

Water Solubility, LogSw

-3.50

Polar Surface Area

99.025

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8335-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8335-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8335-0130?
Check Price and Availability of 8335-0130, 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 8335-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8335-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8335-0130
  • 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 8335-0130 available by request