6801-0245 Screening compound: N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-1-benzenesulfonamide

6801-0245 Screening compound: N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-1-benzenesulfonamide
6801-0245 Screening compound: N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6801-0245
N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-1-benzenesulfonamide

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

6801-0245

Molecular Formula

C15H22N6O3S (C15 H22 N6 O3 S)

Compound Name

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

IUPAC name

N-(2-{[46-bis(dimethylamino)-135-triazin-2-yl]oxy}ethyl)benzenesulfonamide

SMILES

CN(C)c1nc(OCCNS(c2ccccc2)(=O)=O)nc(N(C)C)n1

InChI

InChI=1S/C15H22N6O3S/c1-20(2)13-17-14(21(3)4)19-15(18-13)24-11-10-16-25(22,23)12-8-6-5-7-9-12/h5-9,16H,10-11H2,1-4H3

InChI Key

PSIAELLFPUIICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05624960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.36

Polar Surface Area

82.387

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6801-0245 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6801-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6801-0245?
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What is the minimum amount of 6801-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6801-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6801-0245
  • 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 6801-0245 available by request