2994-5923 Screening compound: 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine

2994-5923 Screening compound: 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine
2994-5923 Screening compound: 6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2994-5923
6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-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

2994-5923

Molecular Formula

C11H20N8O (C11 H20 N8 O)

Compound Name

6-(2-ethyl-3-imino-1,2,4-oxadiazolidin-4-yl)-N2,N2,N4,N4-tetramethyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-(2-ethyl-3-imino-124-oxadiazolidin-4-yl)-N2N2N4N4-tetramethyl-135-triazine-24-diamine

SMILES

CCN(C1=N)OCN1c1nc(N(C)C)nc(N(C)C)n1

InChI

InChI=1S/C11H20N8O/c1-6-19-8(12)18(7-20-19)11-14-9(16(2)3)13-10(15-11)17(4)5/h12H,6-7H2,1-5H3

InChI Key

SPTRTPHDFLKIJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

-2.931

Water Solubility, LogSw

-2.27

Polar Surface Area

69.285

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

12.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

2994-5923 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2994-5923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2994-5923?
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What is the minimum amount of 2994-5923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2994-5923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2994-5923
  • 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 2994-5923 available by request