8013-3364 Screening compound: 6-chloro-N2-[(4-chlorophenyl)methyl]-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

8013-3364 Screening compound: 6-chloro-N2-[(4-chlorophenyl)methyl]-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
8013-3364 Screening compound: 6-chloro-N2-[(4-chlorophenyl)methyl]-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3364
6-chloro-N2-[(4-chlorophenyl)methyl]-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

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

8013-3364

Molecular Formula

C16H20Cl2N6O (C16 H20 Cl2 N6 O)

Compound Name

6-chloro-N2-[(4-chlorophenyl)methyl]-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-chloro-N2-[(4-chlorophenyl)methyl]-N4-[2-(morpholin-4-yl)ethyl]-135-triazine-24-diamine

SMILES

Clc1ccc(CNc2nc(NCCN3CCOCC3)nc(Cl)n2)cc1

InChI

InChI=1S/C16H20Cl2N6O/c17-13-3-1-12(2-4-13)11-20-16-22-14(18)21-15(23-16)19-5-6-24-7-9-25-10-8-24/h1-4H,5-11H2,(H2,19,20,21,22,23)

InChI Key

ZPISMALHGPBZSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.69

Polar Surface Area

64.309

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

8013-3364 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8013-3364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3364?
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What is the minimum amount of 8013-3364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3364
  • 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 8013-3364 available by request