D473-0946 Screening compound: N~1~-(2-methoxybenzyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-0946 Screening compound: N~1~-(2-methoxybenzyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-0946 Screening compound: N~1~-(2-methoxybenzyl)-4-(4-methyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0946
N~1~-(2-methoxybenzyl)-4-(4-methyl-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

D473-0946

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CS(N1c(cc2)ccc2C(NCc(cccc2)c2OC)=O)(=O)=O)C1=O

InChI

InChI=1S/C19H20N2O5S/c1-13-12-27(24,25)21(19(13)23)16-9-7-14(8-10-16)18(22)20-11-15-5-3-4-6-17(15)26-2/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1

InChI Key

UOLMJELVHYJDKY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD10089410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

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

1.673

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-2.46

Polar Surface Area

77.421

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D473-0946 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D473-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0946?
Check Price and Availability of D473-0946, 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 D473-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0946
  • 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 D473-0946 available by request