3379-0682 Screening compound: 6-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine

3379-0682 Screening compound: 6-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine
3379-0682 Screening compound: 6-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0682
6-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-N2,N2,N4,N4-tetramethyl-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

3379-0682

Molecular Formula

C11H18ClN7O (C11 H18 ClN7 O)

Compound Name

6-[5-(chloromethyl)-2-imino-1,3-oxazolidin-3-yl]-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[5-(chloromethyl)-2-imino-13-oxazolidin-3-yl]-N2N2N4N4-tetramethyl-135-triazine-24-diamine

SMILES

CN(C)c1nc(N(CC(CCl)O2)C2=N)nc(N(C)C)n1

InChI

InChI=1S/C11H18ClN7O/c1-17(2)9-14-10(18(3)4)16-11(15-9)19-6-7(5-12)20-8(19)13/h7,13H,5-6H2,1-4H3/t7-/m0/s1

InChI Key

PAVUDQKUDGDKGP-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD00415887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

1.320

Water Solubility, LogSw

-2.67

Polar Surface Area

60.827

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

3379-0682 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3379-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0682?
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What is the minimum amount of 3379-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0682
  • 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 3379-0682 available by request