D470-0302 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0302 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0302 Screening compound: N~1~-[4-(aminosulfonyl)phenyl]-2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0302
N~1~-[4-(aminosulfonyl)phenyl]-2-methoxy-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

D470-0302

Molecular Formula

C16H17N3O8S3 (C16 H17 N3 O8 S3)

Compound Name

N~1~-[4-(aminosulfonyl)phenyl]-2-methoxy-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

2-methoxy-N-(4-sulfamoylphenyl)-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(Nc(cc1)ccc1S(N)(=O)=O)(=O)=O

InChI

InChI=1S/C16H17N3O8S3/c1-27-14-7-4-12(19-16(20)8-9-28(19,21)22)10-15(14)30(25,26)18-11-2-5-13(6-3-11)29(17,23)24/h2-7,10,18H,8-9H2,1H3,(H2,17,23,24)

InChI Key

JVFGVYOIXBBYON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.52

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.456

Distribution Coefficient, logD

-1.688

Water Solubility, LogSw

-2.17

Polar Surface Area

144.539

Acid Dissociation Constant (pKa)

6.19

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D470-0302 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D470-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0302?
Check Price and Availability of D470-0302, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D470-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0302
  • 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 D470-0302 available by request