6800-0076 Screening compound: N-(2-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-4-methylbenzene-1-sulfonamide

6800-0076 Screening compound: N-(2-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-4-methylbenzene-1-sulfonamide
6800-0076 Screening compound: N-(2-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6800-0076
N-(2-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-4-methylbenzene-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

6800-0076

Molecular Formula

C18H26N6O4S (C18 H26 N6 O4 S)

Compound Name

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

IUPAC name

N-(2-{[4-(dimethylamino)-6-(morpholin-4-yl)-135-triazin-2-yl]oxy}ethyl)-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCOc1nc(N2CCOCC2)nc(N(C)C)n1)(=O)=O

InChI

InChI=1S/C18H26N6O4S/c1-14-4-6-15(7-5-14)29(25,26)19-8-11-28-18-21-16(23(2)3)20-17(22-18)24-9-12-27-13-10-24/h4-7,19H,8-13H2,1-3H3

InChI Key

HBTTXQDWQAOELO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05987928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.65

Polar Surface Area

90.943

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6800-0076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6800-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6800-0076?
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What is the minimum amount of 6800-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6800-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6800-0076
  • 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 6800-0076 available by request