D470-0313 Screening compound: 2-methoxy-N~1~-(8-quinolyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0313 Screening compound: 2-methoxy-N~1~-(8-quinolyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0313 Screening compound: 2-methoxy-N~1~-(8-quinolyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0313
2-methoxy-N~1~-(8-quinolyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

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

D470-0313

Molecular Formula

C19H17N3O6S2 (C19 H17 N3 O6 S2)

Compound Name

2-methoxy-N~1~-(8-quinolyl)-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

2-methoxy-N-(quinolin-8-yl)-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(Nc1cccc2cccnc12)(=O)=O

InChI

InChI=1S/C19H17N3O6S2/c1-28-16-8-7-14(22-18(23)9-11-29(22,24)25)12-17(16)30(26,27)21-15-6-2-4-13-5-3-10-20-19(13)15/h2-8,10,12,21H,9,11H2,1H3

InChI Key

XESFBTDQLUGQEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.270

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.65

Polar Surface Area

102.771

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D470-0313 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D470-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0313?
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What is the minimum amount of D470-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0313
  • 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 D470-0313 available by request