8399-0700 Screening compound: N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-methylbenzene-1-sulfonamide

8399-0700 Screening compound: N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-methylbenzene-1-sulfonamide
8399-0700 Screening compound: N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8399-0700
N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-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

8399-0700

Molecular Formula

C20H26N4O4S (C20 H26 N4 O4 S)

Compound Name

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

IUPAC name

N-{5-[2-(34-dimethoxyphenyl)ethyl]-1456-tetrahydro-135-triazin-2-yl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NC1=NCN(CCc(cc2)cc(OC)c2OC)CN1)(=O)=O

InChI

InChI=1S/C20H26N4O4S/c1-15-4-7-17(8-5-15)29(25,26)23-20-21-13-24(14-22-20)11-10-16-6-9-18(27-2)19(12-16)28-3/h4-9,12H,10-11,13-14H2,1-3H3,(H2,21,22,23)

InChI Key

LGTDGNNVFJBTMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-3.01

Polar Surface Area

80.021

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8399-0700 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8399-0700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8399-0700?
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What is the minimum amount of 8399-0700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8399-0700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8399-0700
  • 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 8399-0700 available by request