D473-0785 Screening compound: N~1~-(2-methoxybenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-0785 Screening compound: N~1~-(2-methoxybenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-0785 Screening compound: N~1~-(2-methoxybenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0785
N~1~-(2-methoxybenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

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

D473-0785

Molecular Formula

C18H18N2O5S (C18 H18 N2 O5 S)

Compound Name

N~1~-(2-methoxybenzyl)-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

COc1c(CNC(c(cc2)ccc2N(C(CC2)=O)S2(=O)=O)=O)cccc1

InChI

InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-14(16)12-19-18(22)13-6-8-15(9-7-13)20-17(21)10-11-26(20,23)24/h2-9H,10-12H2,1H3,(H,19,22)

InChI Key

NACQECLDEACEGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.184

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-2.30

Polar Surface Area

77.699

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with D473-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0785?
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What is the minimum amount of D473-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0785
  • 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 D473-0785 available by request