G786-0521 Screening compound: N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

G786-0521 Screening compound: N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
G786-0521 Screening compound: N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0521
N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

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

G786-0521

Molecular Formula

C20H15N3O3S (C20 H15 N3 O3 S)

Compound Name

N-(3-{3-methylimidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(3-{3-methylimidazo[21-b][13]thiazol-6-yl}phenyl)-2H-13-benzodioxole-5-carboxamide

SMILES

Cc1csc2nc(-c3cc(NC(c(cc4)cc5c4OCO5)=O)ccc3)cn12

InChI

InChI=1S/C20H15N3O3S/c1-12-10-27-20-22-16(9-23(12)20)13-3-2-4-15(7-13)21-19(24)14-5-6-17-18(8-14)26-11-25-17/h2-10H,11H2,1H3,(H,21,24)

InChI Key

ZNEYTOHQGFOOQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06702714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.23

Polar Surface Area

49.873

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

G786-0521 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G786-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0521?
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What is the minimum amount of G786-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0521
  • 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 G786-0521 available by request