D473-0902 Screening compound: methyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate

D473-0902 Screening compound: methyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate
D473-0902 Screening compound: methyl 4-{[4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-0902
methyl 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

D473-0902

Molecular Formula

C18H16N2O6S (C18 H16 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H16N2O6S/c1-26-18(23)13-2-6-14(7-3-13)19-17(22)12-4-8-15(9-5-12)20-16(21)10-11-27(20,24)25/h2-9H,10-11H2,1H3,(H,19,22)

InChI Key

HNQMDCLXZWSJME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-2.37

Polar Surface Area

89.920

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D473-0902 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D473-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-0902?
Check Price and Availability of D473-0902, 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 D473-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-0902
  • 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 D473-0902 available by request