8010-5598 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-tert-butyl-1H-1,2,3-triazole-4-carboxylate

8010-5598 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-tert-butyl-1H-1,2,3-triazole-4-carboxylate
8010-5598 Screening compound: methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-tert-butyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5598
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-tert-butyl-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

8010-5598

Molecular Formula

C10H14N6O3 (C10 H14 N6 O3)

Compound Name

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

IUPAC name

methyl 1-(4-amino-125-oxadiazol-3-yl)-5-tert-butyl-1H-123-triazole-4-carboxylate

SMILES

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

InChI

InChI=1S/C10H14N6O3/c1-10(2,3)6-5(9(17)18-4)12-15-16(6)8-7(11)13-19-14-8/h1-4H3,(H2,11,13)

InChI Key

QRHXGSWMZNLUNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.433

Distribution Coefficient, logD

1.433

Water Solubility, LogSw

-1.18

Polar Surface Area

103.532

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8010-5598 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-5598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5598?
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What is the minimum amount of 8010-5598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5598
  • 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 8010-5598 available by request