5983-5241 Screening compound: 3-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}benzoic acid

5983-5241 Screening compound: 3-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}benzoic acid
5983-5241 Screening compound: 3-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5983-5241
3-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}benzoic acid

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

5983-5241

Molecular Formula

C17H14N2O6S (C17 H14 N2 O6 S)

Compound Name

3-{[3-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)propanoyl]amino}benzoic acid

IUPAC name

3-[3-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)propanamido]benzoic acid

SMILES

OC(c1cccc(NC(CCN(C(c2c3cccc2)=O)S3(=O)=O)=O)c1)=O

InChI

InChI=1S/C17H14N2O6S/c20-15(18-12-5-3-4-11(10-12)17(22)23)8-9-19-16(21)13-6-1-2-7-14(13)26(19,24)25/h1-7,10H,8-9H2,(H,18,20)(H,22,23)

InChI Key

RMBXLLIXMJBXIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03998016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.592

Distribution Coefficient, logD

-1.294

Water Solubility, LogSw

-2.66

Polar Surface Area

96.720

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 5983-5241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5983-5241?
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What is the minimum amount of 5983-5241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5983-5241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5983-5241
  • 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 5983-5241 available by request