3379-2571 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy}ethyl)acetamide

3379-2571 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
3379-2571 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2571
2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy}ethyl)acetamide

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

3379-2571

Molecular Formula

C18H25ClN6O4 (C18 H25 ClN6 O4)

Compound Name

2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy}ethyl)acetamide

IUPAC name

2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-[methoxy(methyl)amino]-135-triazin-2-yl]oxy}ethyl)acetamide

SMILES

Cc(cc(cc1)Cl)c1OCC(NCCOc1nc(N(C)OC)nc(N(C)C)n1)=O

InChI

InChI=1S/C18H25ClN6O4/c1-12-10-13(19)6-7-14(12)29-11-15(26)20-8-9-28-18-22-16(24(2)3)21-17(23-18)25(4)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,26)

InChI Key

JTWKFMAKKVDUKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01992417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.27

Polar Surface Area

82.408

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

3379-2571 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3379-2571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2571?
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What is the minimum amount of 3379-2571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2571
  • 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 3379-2571 available by request