8013-1489 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazino)methyl]-1H-1,2,3-triazole-4-carboxylic acid

8013-1489 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazino)methyl]-1H-1,2,3-triazole-4-carboxylic acid
8013-1489 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazino)methyl]-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1489
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazino)methyl]-1H-1,2,3-triazole-4-carboxylic acid

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

8013-1489

Molecular Formula

C11H16N8O3 (C11 H16 N8 O3)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperazino)methyl]-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]-1H-123-triazole-4-carboxylic acid

SMILES

CN1CCN(Cc2c(C(O)=O)nnn2-c2nonc2N)CC1

InChI

InChI=1S/C11H16N8O3/c1-17-2-4-18(5-3-17)6-7-8(11(20)21)13-16-19(7)10-9(12)14-22-15-10/h2-6H2,1H3,(H2,12,14)(H,20,21)

InChI Key

HYBVJMAOLOIEGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-1.362

Distribution Coefficient, logD

-1.362

Water Solubility, LogSw

0.34

Polar Surface Area

118.457

Acid Dissociation Constant (pKa)

1.65

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

8013-1489 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-1489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1489?
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What is the minimum amount of 8013-1489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1489
  • 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 8013-1489 available by request