D470-1731 Screening compound: (3S,4R)-3-(4-acetylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D470-1731 Screening compound: (3S,4R)-3-(4-acetylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D470-1731 Screening compound: (3S,4R)-3-(4-acetylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D470-1731
(3S,4R)-3-(4-acetylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

D470-1731

Molecular Formula

C16H22N2O5S2 (C16 H22 N2 O5 S2)

Compound Name

(3S,4R)-3-(4-acetylpiperazino)-4-(phenylsulfonyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

(3S4R)-3-(4-acetylpiperazin-1-yl)-4-(benzenesulfonyl)-1lambda6-thiolane-11-dione

SMILES

CC(N(CC1)CCN1[C@@H](CS(C1)(=O)=O)[C@H]1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C16H22N2O5S2/c1-13(19)17-7-9-18(10-8-17)15-11-24(20,21)12-16(15)25(22,23)14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3/t15-,16-/m1/s1

InChI Key

BZCRMUQQXNLQDR-HZPDHXFCSA-N

MDL Number (MFCD)

MFCD10042933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.464

Distribution Coefficient, logD

-0.464

Water Solubility, LogSw

-1.81

Polar Surface Area

78.123

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.30

D470-1731 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 D470-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D470-1731?
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What is the minimum amount of D470-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D470-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D470-1731
  • 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 D470-1731 available by request