D470-0020 Screening compound: N~1~-(2-fluorobenzyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

D470-0020 Screening compound: N~1~-(2-fluorobenzyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide
D470-0020 Screening compound: N~1~-(2-fluorobenzyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0020
N~1~-(2-fluorobenzyl)-2-methyl-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

D470-0020

Molecular Formula

C17H17FN2O5S2 (C17 H17 FN2 O5 S2)

Compound Name

N~1~-(2-fluorobenzyl)-2-methyl-5-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-1-benzenesulfonamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-methyl-5-(113-trioxo-1lambda62-thiazolidin-2-yl)benzene-1-sulfonamide

SMILES

Cc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(NCc(cccc1)c1F)(=O)=O

InChI

InChI=1S/C17H17FN2O5S2/c1-12-6-7-14(20-17(21)8-9-26(20,22)23)10-16(12)27(24,25)19-11-13-4-2-3-5-15(13)18/h2-7,10,19H,8-9,11H2,1H3

InChI Key

KXIHZHGIVZLNNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.939

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-2.68

Polar Surface Area

87.414

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D470-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0020?
Check Price and Availability of D470-0020, 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 D470-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0020
  • 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 D470-0020 available by request