D473-0821 Screening compound: methyl (2S)-3-phenyl-2-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}propanoate

D473-0821 Screening compound: methyl (2S)-3-phenyl-2-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}propanoate
D473-0821 Screening compound: methyl (2S)-3-phenyl-2-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0821
methyl (2S)-3-phenyl-2-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}propanoate

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

D473-0821

Molecular Formula

C20H20N2O6S (C20 H20 N2 O6 S)

Compound Name

methyl (2S)-3-phenyl-2-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}propanoate

IUPAC name

methyl (2S)-3-phenyl-2-{[4-(113-trioxo-1lambda62-thiazolidin-2-yl)phenyl]formamido}propanoate

SMILES

COC([C@H](Cc1ccccc1)NC(c(cc1)ccc1N(C(CC1)=O)S1(=O)=O)=O)=O

InChI

InChI=1S/C20H20N2O6S/c1-28-20(25)17(13-14-5-3-2-4-6-14)21-19(24)15-7-9-16(10-8-15)22-18(23)11-12-29(22,26)27/h2-10,17H,11-13H2,1H3,(H,21,24)/t17-/m0/s1

InChI Key

BSYSPBLCPHDAGK-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.792

Distribution Coefficient, logD

0.792

Water Solubility, LogSw

-2.32

Polar Surface Area

90.873

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D473-0821 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D473-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0821?
Check Price and Availability of D473-0821, 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 D473-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0821
  • 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 D473-0821 available by request