J083-0086 Screening compound: 5-{[(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

J083-0086 Screening compound: 5-{[(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
J083-0086 Screening compound: 5-{[(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0086
5-{[(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-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

J083-0086

Molecular Formula

C13H17N7O (C13 H17 N7 O)

Compound Name

5-{[(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-{[(2-ethyl-2H-1234-tetrazol-5-yl)amino]methyl}-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CCn1nnc(NCc(cc2)cc(N3C)c2N(C)C3=O)n1

InChI

InChI=1S/C13H17N7O/c1-4-20-16-12(15-17-20)14-8-9-5-6-10-11(7-9)19(3)13(21)18(10)2/h5-7H,4,8H2,1-3H3,(H,14,16)

InChI Key

QBDYVNOFMZXRIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.811

Distribution Coefficient, logD

0.811

Water Solubility, LogSw

-2.11

Polar Surface Area

67.663

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

J083-0086 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J083-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0086?
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What is the minimum amount of J083-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0086
  • 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 J083-0086 available by request