D473-1289 Screening compound: 2-chloro-N~1~-[2-(1H-indol-3-yl)ethyl]-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

D473-1289 Screening compound: 2-chloro-N~1~-[2-(1H-indol-3-yl)ethyl]-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide
D473-1289 Screening compound: 2-chloro-N~1~-[2-(1H-indol-3-yl)ethyl]-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D473-1289
2-chloro-N~1~-[2-(1H-indol-3-yl)ethyl]-4-(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

D473-1289

Molecular Formula

C20H18ClN3O4S (C20 H18 ClN3 O4 S)

Compound Name

2-chloro-N~1~-[2-(1H-indol-3-yl)ethyl]-4-(1,1,3-trioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)benzamide

IUPAC name

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-4-(113-trioxo-1lambda62-thiazolidin-2-yl)benzamide

SMILES

O=C(c(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1Cl)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C20H18ClN3O4S/c21-17-11-14(24-19(25)8-10-29(24,27)28)5-6-16(17)20(26)22-9-7-13-12-23-18-4-2-1-3-15(13)18/h1-6,11-12,23H,7-10H2,(H,22,26)

InChI Key

CAPBLPUEMZEQJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10089716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-3.56

Polar Surface Area

79.781

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D473-1289 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D473-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D473-1289?
Check Price and Availability of D473-1289, 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 D473-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D473-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D473-1289
  • 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 D473-1289 available by request