8017-5876 Screening compound: N,N-diethyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine

8017-5876 Screening compound: N,N-diethyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine
8017-5876 Screening compound: N,N-diethyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5876
N,N-diethyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)-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

8017-5876

Molecular Formula

C10H15N7O (C10 H15 N7 O)

Compound Name

N,N-diethyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2N2-diethyl-6-(5-methyl-124-oxadiazol-3-yl)-135-triazine-24-diamine

SMILES

CCN(CC)c1nc(N)nc(-c2noc(C)n2)n1

InChI

InChI=1S/C10H15N7O/c1-4-17(5-2)10-14-7(13-9(11)15-10)8-12-6(3)18-16-8/h4-5H2,1-3H3,(H2,11,13,14,15)

InChI Key

RXHOKHIRTHNVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06616734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.885

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-1.86

Polar Surface Area

83.139

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8017-5876 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-5876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5876?
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What is the minimum amount of 8017-5876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5876
  • 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 8017-5876 available by request