8008-5648 Screening compound: [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl](morpholino)methanone

8008-5648 Screening compound: [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl](morpholino)methanone
8008-5648 Screening compound: [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5648
[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl](morpholino)methanone

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

8008-5648

Molecular Formula

C10H13N7O3 (C10 H13 N7 O3)

Compound Name

[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl](morpholino)methanone

IUPAC name

4-[5-methyl-4-(morpholine-4-carbonyl)-1H-123-triazol-1-yl]-125-oxadiazol-3-amine

SMILES

Cc1c(C(N2CCOCC2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C10H13N7O3/c1-6-7(10(18)16-2-4-19-5-3-16)12-15-17(6)9-8(11)13-20-14-9/h2-5H2,1H3,(H2,11,13)

InChI Key

UDRPNNCRWYTGQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.613

Distribution Coefficient, logD

-0.613

Water Solubility, LogSw

0.18

Polar Surface Area

107.886

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8008-5648 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 8008-5648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5648?
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What is the minimum amount of 8008-5648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5648
  • 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 8008-5648 available by request