J008-0554 Screening compound: methyl 3-{[5-(4-hydroxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate

J008-0554 Screening compound: methyl 3-{[5-(4-hydroxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate
J008-0554 Screening compound: methyl 3-{[5-(4-hydroxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J008-0554
methyl 3-{[5-(4-hydroxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate

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

J008-0554

Molecular Formula

C18H15N5O3 (C18 H15 N5 O3)

Compound Name

methyl 3-{[5-(4-hydroxyphenyl)-3H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino}benzoate

IUPAC name

methyl 3-{[5-(4-hydroxyphenyl)-3H-imidazo[12-b][124]triazol-6-yl]amino}benzoate

SMILES

COC(c1cc(Nc2c(-c(cc3)ccc3O)nc3n2nc[nH]3)ccc1)=O

InChI

InChI=1S/C18H15N5O3/c1-26-17(25)12-3-2-4-13(9-12)21-16-15(11-5-7-14(24)8-6-11)22-18-19-10-20-23(16)18/h2-10,21,24H,1H3,(H,19,20,22)

InChI Key

SMYKYOPJLAKFNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27216259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.17

Polar Surface Area

80.633

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

J008-0554 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Arginase Targeted Library (2009 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with J008-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J008-0554?
Check Price and Availability of J008-0554, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J008-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J008-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J008-0554
  • 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 J008-0554 available by request