1307-0008 Screening compound: 4,5-dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate

1307-0008 Screening compound: 4,5-dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate
1307-0008 Screening compound: 4,5-dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1307-0008
4,5-dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate

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

1307-0008

Molecular Formula

C8H8N6O5 (C8 H8 N6 O5)

Compound Name

4,5-dimethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-dimethyl 1-(4-amino-125-oxadiazol-3-yl)-1H-123-triazole-45-dicarboxylate

SMILES

COC(c1c(C(OC)=O)nnn1-c1nonc1N)=O

InChI

InChI=1S/C8H8N6O5/c1-17-7(15)3-4(8(16)18-2)14(13-10-3)6-5(9)11-19-12-6/h1-2H3,(H2,9,11)

InChI Key

OVXOWBAOTKXWFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00437773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.19

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.103

Distribution Coefficient, logD

-0.103

Water Solubility, LogSw

0.59

Polar Surface Area

124.706

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1307-0008 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 1307-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1307-0008?
Check Price and Availability of 1307-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1307-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1307-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1307-0008
  • 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 1307-0008 available by request