8007-8547 Screening compound: prop-2-en-1-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

8007-8547 Screening compound: prop-2-en-1-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
8007-8547 Screening compound: prop-2-en-1-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8547
prop-2-en-1-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

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

8007-8547

Molecular Formula

C9H10N6O3 (C9 H10 N6 O3)

Compound Name

prop-2-en-1-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

prop-2-en-1-yl 1-(4-amino-125-oxadiazol-3-yl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

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

InChI

InChI=1S/C9H10N6O3/c1-3-4-17-9(16)6-5(2)15(14-11-6)8-7(10)12-18-13-8/h3H,1,4H2,2H3,(H2,10,12)

InChI Key

YOXFAOPGXOYQDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.450

Distribution Coefficient, logD

0.450

Water Solubility, LogSw

-0.36

Polar Surface Area

104.377

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8007-8547 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-8547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8547?
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What is the minimum amount of 8007-8547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8547
  • 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 8007-8547 available by request