D470-0202 Screening compound: 2-{3-[(4-benzylpiperazino)sulfonyl]-4-methoxyphenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D470-0202 Screening compound: 2-{3-[(4-benzylpiperazino)sulfonyl]-4-methoxyphenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D470-0202 Screening compound: 2-{3-[(4-benzylpiperazino)sulfonyl]-4-methoxyphenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0202
2-{3-[(4-benzylpiperazino)sulfonyl]-4-methoxyphenyl}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

D470-0202

Molecular Formula

C21H25N3O6S2 (C21 H25 N3 O6 S2)

Compound Name

2-{3-[(4-benzylpiperazino)sulfonyl]-4-methoxyphenyl}dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-{3-[(4-benzylpiperazin-1-yl)sulfonyl]-4-methoxyphenyl}-1lambda62-thiazolidine-113-trione

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(N1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C21H25N3O6S2/c1-30-19-8-7-18(24-21(25)9-14-31(24,26)27)15-20(19)32(28,29)23-12-10-22(11-13-23)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3

InChI Key

SHCHKQFMZDCNTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.901

Distribution Coefficient, logD

0.895

Water Solubility, LogSw

-2.16

Polar Surface Area

88.537

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

D470-0202 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D470-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0202?
Check Price and Availability of D470-0202, 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 D470-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0202
  • 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 D470-0202 available by request