8009-2887 Screening compound: 2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-methoxybenzoate

8009-2887 Screening compound: 2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-methoxybenzoate
8009-2887 Screening compound: 2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2887
2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-methoxybenzoate

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

8009-2887

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

2-[(diethylamino)methyl]-4-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 4-methoxybenzoate

IUPAC name

2-[(diethylamino)methyl]-4-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]phenyl 4-methoxybenzoate

SMILES

CCN(CC)Cc(cc(cc1)NC(c2c3cccc2)=NS3(=O)=O)c1OC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C26H27N3O5S/c1-4-29(5-2)17-19-16-20(27-25-22-8-6-7-9-24(22)35(31,32)28-25)12-15-23(19)34-26(30)18-10-13-21(33-3)14-11-18/h6-16H,4-5,17H2,1-3H3,(H,27,28)

InChI Key

QAVXVZMEFFAVMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572830

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.863

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-3.95

Polar Surface Area

82.285

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with 8009-2887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2887?
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What is the minimum amount of 8009-2887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2887
  • 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 8009-2887 available by request