2994-5853 Screening compound: N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2,5-dimethylbenzene-1-sulfonamide

2994-5853 Screening compound: N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2,5-dimethylbenzene-1-sulfonamide
2994-5853 Screening compound: N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5853
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2,5-dimethylbenzene-1-sulfonamide

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

2994-5853

Molecular Formula

C17H26N6O3S (C17 H26 N6 O3 S)

Compound Name

N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2,5-dimethylbenzene-1-sulfonamide

IUPAC name

N-(2-{[46-bis(ethylamino)-135-triazin-2-yl]oxy}ethyl)-25-dimethylbenzene-1-sulfonamide

SMILES

CCNc1nc(OCCNS(c2c(C)ccc(C)c2)(=O)=O)nc(NCC)n1

InChI

InChI=1S/C17H26N6O3S/c1-5-18-15-21-16(19-6-2)23-17(22-15)26-10-9-20-27(24,25)14-11-12(3)7-8-13(14)4/h7-8,11,20H,5-6,9-10H2,1-4H3,(H2,18,19,21,22,23)

InChI Key

XOPJGPLFYZCTMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01854903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-3.77

Polar Surface Area

101.455

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

2994-5853 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 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 2994-5853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5853?
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What is the minimum amount of 2994-5853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5853
  • 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 2994-5853 available by request