G841-0047 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G841-0047 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G841-0047 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0047
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-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

G841-0047

Molecular Formula

C23H18N2O3S (C23 H18 N2 O3 S)

Compound Name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(c(cc1)cc3c1OCCO3)=O)s2

InChI

InChI=1S/C23H18N2O3S/c1-14-2-8-18-21(12-14)29-23(25-18)15-3-6-17(7-4-15)24-22(26)16-5-9-19-20(13-16)28-11-10-27-19/h2-9,12-13H,10-11H2,1H3,(H,24,26)

InChI Key

ZXCIRHJORKEEDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.33

Polar Surface Area

48.602

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G841-0047 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G841-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0047?
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What is the minimum amount of G841-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0047
  • 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 G841-0047 available by request