D473-0920 Screening compound: ethyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

D473-0920 Screening compound: ethyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate
D473-0920 Screening compound: ethyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0920
ethyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

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

D473-0920

Molecular Formula

C19H18N2O6S (C19 H18 N2 O6 S)

Compound Name

ethyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

IUPAC name

ethyl 4-[4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C19H18N2O6S/c1-2-27-19(24)14-3-7-15(8-4-14)20-18(23)13-5-9-16(10-6-13)21-17(22)11-12-28(21,25)26/h3-10H,2,11-12H2,1H3,(H,20,23)

InChI Key

PSNGWAPFBZPQGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.893

Water Solubility, LogSw

-2.62

Polar Surface Area

89.500

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D473-0920 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D473-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0920?
Check Price and Availability of D473-0920, 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 D473-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0920
  • 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 D473-0920 available by request