5983-5288 Screening compound: N~1~-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

5983-5288 Screening compound: N~1~-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide
5983-5288 Screening compound: N~1~-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-5288
N~1~-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

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

5983-5288

Molecular Formula

C17H15BrN2O4S (C17 H15 BrN2 O4 S)

Compound Name

N~1~-(4-bromo-2-methylphenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanamide

IUPAC name

N-(4-bromo-2-methylphenyl)-3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamide

SMILES

Cc(cc(cc1)Br)c1NC(CCN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C17H15BrN2O4S/c1-11-10-12(18)6-7-14(11)19-16(21)8-9-20-17(22)13-4-2-3-5-15(13)25(20,23)24/h2-7,10H,8-9H2,1H3,(H,19,21)

InChI Key

DDSCAOFOCIRKDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03865162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-3.05

Polar Surface Area

67.614

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 5983-5288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-5288?
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What is the minimum amount of 5983-5288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-5288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-5288
  • 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 5983-5288 available by request