J083-0027 Screening compound: 1,3-dimethyl-5-{[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

J083-0027 Screening compound: 1,3-dimethyl-5-{[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
J083-0027 Screening compound: 1,3-dimethyl-5-{[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J083-0027
1,3-dimethyl-5-{[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)amino]methyl}-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

J083-0027

Molecular Formula

C12H15N7O (C12 H15 N7 O)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(CNc1nn(C)nn1)c1)c1N1C)C1=O

InChI

InChI=1S/C12H15N7O/c1-17-9-5-4-8(6-10(9)18(2)12(17)20)7-13-11-14-16-19(3)15-11/h4-6H,7H2,1-3H3,(H,13,15)

InChI Key

VRQUWWCPELOIIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09694352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.253

Distribution Coefficient, logD

0.253

Water Solubility, LogSw

-1.92

Polar Surface Area

67.700

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J083-0027 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Hsp90-Targeted Library (11355 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
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 J083-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J083-0027?
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What is the minimum amount of J083-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J083-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J083-0027
  • 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 J083-0027 available by request