2994-5855 Screening compound: N-[2-({4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}oxy)ethyl]-2,5-dimethylbenzene-1-sulfonamide

2994-5855 Screening compound: N-[2-({4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}oxy)ethyl]-2,5-dimethylbenzene-1-sulfonamide
2994-5855 Screening compound: N-[2-({4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}oxy)ethyl]-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5855
N-[2-({4,6-bis[(propan-2-yl)amino]-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

2994-5855

Molecular Formula

C19H30N6O3S (C19 H30 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Nc1nc(OCCNS(c2c(C)ccc(C)c2)(=O)=O)nc(NC(C)C)n1

InChI

InChI=1S/C19H30N6O3S/c1-12(2)21-17-23-18(22-13(3)4)25-19(24-17)28-10-9-20-29(26,27)16-11-14(5)7-8-15(16)6/h7-8,11-13,20H,9-10H2,1-6H3,(H2,21,22,23,24,25)

InChI Key

ZMEHIDQENJZRRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01854720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

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

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.22

Polar Surface Area

100.152

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

2994-5855 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2994-5855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5855?
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What is the minimum amount of 2994-5855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5855
  • 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 2994-5855 available by request