D473-1212 Screening compound: 2-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzamide

D473-1212 Screening compound: 2-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzamide
D473-1212 Screening compound: 2-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1212
2-{[4-(4,4-dimethyl-1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzoyl]amino}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

D473-1212

Molecular Formula

C19H19N3O5S (C19 H19 N3 O5 S)

Compound Name

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

IUPAC name

N-(2-carbamoylphenyl)-4-(44-dimethyl-113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

CC(C)(CS(N1c(cc2)ccc2C(Nc(cccc2)c2C(N)=O)=O)(=O)=O)C1=O

InChI

InChI=1S/C19H19N3O5S/c1-19(2)11-28(26,27)22(18(19)25)13-9-7-12(8-10-13)17(24)21-15-6-4-3-5-14(15)16(20)23/h3-10H,11H2,1-2H3,(H2,20,23)(H,21,24)

InChI Key

OTSOCOVXLLCVSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.399

Distribution Coefficient, logD

1.392

Water Solubility, LogSw

-2.44

Polar Surface Area

101.830

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D473-1212 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D473-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1212?
Check Price and Availability of D473-1212, 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 D473-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1212
  • 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 D473-1212 available by request