8335-0337 Screening compound: 5-(BENZENESULFONYL)-N4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE-4,6-DIAMINE

8335-0337 Screening compound: 5-(BENZENESULFONYL)-N4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE-4,6-DIAMINE
8335-0337 Screening compound: 5-(BENZENESULFONYL)-N4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE-4,6-DIAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8335-0337
5-(BENZENESULFONYL)-N4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE-4,6-DIAMINE

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

8335-0337

Molecular Formula

C17H15BrN4O2S (C17 H15 BrN4 O2 S)

Compound Name

5-(BENZENESULFONYL)-N4-(4-BROMOPHENYL)-2-METHYLPYRIMIDINE-4,6-DIAMINE

IUPAC name

5-(benzenesulfonyl)-N4-(4-bromophenyl)-2-methylpyrimidine-46-diamine

SMILES

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

InChI

InChI=1S/C17H15BrN4O2S/c1-11-20-16(19)15(25(23,24)14-5-3-2-4-6-14)17(21-11)22-13-9-7-12(18)8-10-13/h2-10H,1H3,(H3,19,20,21,22)

InChI Key

NEJHWKOKLMXROE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07758266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.85

Polar Surface Area

78.172

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8335-0337 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8335-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8335-0337?
Check Price and Availability of 8335-0337, 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 8335-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8335-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8335-0337
  • 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 8335-0337 available by request