1307-0027 Screening compound: 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

1307-0027 Screening compound: 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
1307-0027 Screening compound: 1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1307-0027
1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

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

1307-0027

Molecular Formula

C7H8N6O2 (C7 H8 N6 O2)

Compound Name

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

IUPAC name

1-[1-(4-amino-125-oxadiazol-3-yl)-5-methyl-1H-123-triazol-4-yl]ethan-1-one

SMILES

CC(c1c(C)n(-c2nonc2N)nn1)=O

InChI

InChI=1S/C7H8N6O2/c1-3-5(4(2)14)9-12-13(3)7-6(8)10-15-11-7/h1-2H3,(H2,8,10)

InChI Key

INMLIYBPSFHPNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.049

Distribution Coefficient, logD

-0.049

Water Solubility, LogSw

0.54

Polar Surface Area

97.156

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

1307-0027 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1307-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1307-0027?
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What is the minimum amount of 1307-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1307-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1307-0027
  • 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 1307-0027 available by request