7840-2834 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

7840-2834 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
7840-2834 Screening compound: N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-2834
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-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

7840-2834

Molecular Formula

C22H15ClN2O3S (C22 H15 ClN2 O3 S)

Compound Name

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

IUPAC name

N-[4-(13-benzothiazol-2-yl)-3-chlorophenyl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1OCCO2)Nc(cc1)cc(Cl)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C22H15ClN2O3S/c23-16-12-14(6-7-15(16)22-25-17-3-1-2-4-20(17)29-22)24-21(26)13-5-8-18-19(11-13)28-10-9-27-18/h1-8,11-12H,9-10H2,(H,24,26)

InChI Key

IYFKKHNQMNQSKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

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

4.852

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-5.14

Polar Surface Area

48.602

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

7840-2834 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 7840-2834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-2834?
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What is the minimum amount of 7840-2834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-2834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-2834
  • 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 7840-2834 available by request