J008-0533 Screening compound: ethyl 4-({5-[4-(dimethylamino)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate

J008-0533 Screening compound: ethyl 4-({5-[4-(dimethylamino)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate
J008-0533 Screening compound: ethyl 4-({5-[4-(dimethylamino)phenyl]-3H-imidazo[1,2-b][1,2,4]triazol-6-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J008-0533
ethyl 4-({5-[4-(dimethylamino)phenyl]-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

J008-0533

Molecular Formula

C21H22N6O2 (C21 H22 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1Nc1c(-c(cc2)ccc2N(C)C)nc2n1nc[nH]2)=O

InChI

InChI=1S/C21H22N6O2/c1-4-29-20(28)15-5-9-16(10-6-15)24-19-18(25-21-22-13-23-27(19)21)14-7-11-17(12-8-14)26(2)3/h5-13,24H,4H2,1-3H3,(H,22,23,25)

InChI Key

ZNEPQXQSHRCUAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27216255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-4.03

Polar Surface Area

65.400

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

J008-0533 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Arginase Targeted Library (2009 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Nervous system
Targets:
  • Others

References: we are preparing a list of scientific research reports with J008-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J008-0533?
Check Price and Availability of J008-0533, 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 J008-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J008-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J008-0533
  • 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 J008-0533 available by request