2994-5806 Screening compound: N2-ethyl-6-[(2-phenoxyethyl)sulfanyl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

2994-5806 Screening compound: N2-ethyl-6-[(2-phenoxyethyl)sulfanyl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
2994-5806 Screening compound: N2-ethyl-6-[(2-phenoxyethyl)sulfanyl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5806
N2-ethyl-6-[(2-phenoxyethyl)sulfanyl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-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

2994-5806

Molecular Formula

C16H23N5OS (C16 H23 N5 OS)

Compound Name

N2-ethyl-6-[(2-phenoxyethyl)sulfanyl]-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-ethyl-6-[(2-phenoxyethyl)sulfanyl]-N4-(propan-2-yl)-135-triazine-24-diamine

SMILES

CCNc1nc(SCCOc2ccccc2)nc(NC(C)C)n1

InChI

InChI=1S/C16H23N5OS/c1-4-17-14-19-15(18-12(2)3)21-16(20-14)23-11-10-22-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H2,17,18,19,20,21)

InChI Key

KEHYJSPENPCUNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01854902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.20

Polar Surface Area

57.854

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

2994-5806 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2994-5806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5806?
Check Price and Availability of 2994-5806, 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 2994-5806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5806
  • 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 2994-5806 available by request