8009-1636 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]ethyl 4-(tert-butyl)benzoate

8009-1636 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]ethyl 4-(tert-butyl)benzoate
8009-1636 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]ethyl 4-(tert-butyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1636
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]ethyl 4-(tert-butyl)benzoate

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

8009-1636

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]ethyl 4-(tert-butyl)benzoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)(methyl)amino]ethyl 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1C(OCCN(C)C(c1c2cccc1)=NS2(=O)=O)=O

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)16-11-9-15(10-12-16)20(24)27-14-13-23(4)19-17-7-5-6-8-18(17)28(25,26)22-19/h5-12H,13-14H2,1-4H3

InChI Key

FCBQSFSLBGNUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.27

Polar Surface Area

63.659

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8009-1636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1636?
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What is the minimum amount of 8009-1636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1636
  • 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 8009-1636 available by request