D470-0080 Screening compound: 2-[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4-methylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D470-0080 Screening compound: 2-[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4-methylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D470-0080 Screening compound: 2-[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4-methylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0080
2-[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4-methylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

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

D470-0080

Molecular Formula

C18H18N2O5S2 (C18 H18 N2 O5 S2)

Compound Name

2-[3-(2,3-dihydro-1H-indol-1-ylsulfonyl)-4-methylphenyl]dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-[3-(23-dihydro-1H-indole-1-sulfonyl)-4-methylphenyl]-1lambda62-thiazolidine-113-trione

SMILES

Cc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(N(CC1)c2c1cccc2)(=O)=O

InChI

InChI=1S/C18H18N2O5S2/c1-13-6-7-15(20-18(21)9-11-26(20,22)23)12-17(13)27(24,25)19-10-8-14-4-2-3-5-16(14)19/h2-7,12H,8-11H2,1H3

InChI Key

VXNUOPMPHSTDNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.40

Polar Surface Area

77.174

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D470-0080 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Neuropeptide S Library (2850 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Nervous system
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D470-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0080?
Check Price and Availability of D470-0080, 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 D470-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0080
  • 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 D470-0080 available by request