D470-0227 Screening compound: 2-(4-methoxy-3-{[4-(2-pyrimidinyl)piperazino]sulfonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

D470-0227 Screening compound: 2-(4-methoxy-3-{[4-(2-pyrimidinyl)piperazino]sulfonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione
D470-0227 Screening compound: 2-(4-methoxy-3-{[4-(2-pyrimidinyl)piperazino]sulfonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-0227
2-(4-methoxy-3-{[4-(2-pyrimidinyl)piperazino]sulfonyl}phenyl)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

D470-0227

Molecular Formula

C18H21N5O6S2 (C18 H21 N5 O6 S2)

Compound Name

2-(4-methoxy-3-{[4-(2-pyrimidinyl)piperazino]sulfonyl}phenyl)dihydro-1H-1lambda~6~-isothiazole-1,1,3(2H)-trione

IUPAC name

2-(4-methoxy-3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}phenyl)-1lambda62-thiazolidine-113-trione

SMILES

COc(ccc(N(C(CC1)=O)S1(=O)=O)c1)c1S(N(CC1)CCN1c1ncccn1)(=O)=O

InChI

InChI=1S/C18H21N5O6S2/c1-29-15-4-3-14(23-17(24)5-12-30(23,25)26)13-16(15)31(27,28)22-10-8-21(9-11-22)18-19-6-2-7-20-18/h2-4,6-7,13H,5,8-12H2,1H3

InChI Key

UTAWGHIOYMFZJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10042891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.385

Distribution Coefficient, logD

0.385

Water Solubility, LogSw

-2.14

Polar Surface Area

106.619

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D470-0227 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 D470-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-0227?
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What is the minimum amount of D470-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-0227
  • 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 D470-0227 available by request