8018-9178 Screening compound: 3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide

8018-9178 Screening compound: 3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
8018-9178 Screening compound: 3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9178
3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-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

8018-9178

Molecular Formula

C20H14N4O3S (C20 H14 N4 O3 S)

Compound Name

3-(1,3-benzothiazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide

IUPAC name

3-(13-benzothiazol-2-yl)-N-(23-dihydro-14-benzodioxin-6-yl)pyrazine-2-carboxamide

SMILES

O=C(c1nccnc1-c1nc(cccc2)c2s1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H14N4O3S/c25-19(23-12-5-6-14-15(11-12)27-10-9-26-14)17-18(22-8-7-21-17)20-24-13-3-1-2-4-16(13)28-20/h1-8,11H,9-10H2,(H,23,25)

InChI Key

LQWLQPQDZJOIEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08285650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-3.03

Polar Surface Area

68.238

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-9178 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8018-9178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9178?
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What is the minimum amount of 8018-9178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9178
  • 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 8018-9178 available by request