D087-0502 Screening compound: 3-[(4-methylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

D087-0502 Screening compound: 3-[(4-methylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
D087-0502 Screening compound: 3-[(4-methylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D087-0502
3-[(4-methylpiperazino)sulfonyl]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

D087-0502

Molecular Formula

C9H18N2O4S2 (C9 H18 N2 O4 S2)

Compound Name

3-[(4-methylpiperazino)sulfonyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

n/a

SMILES

CN(CC1)CCN1S(C(CC1)CS1(=O)=O)(=O)=O

InChI

InChI=1S/C9H18N2O4S2/c1-10-3-5-11(6-4-10)17(14,15)9-2-7-16(12,13)8-9/h9H,2-8H2,1H3/t9-/m1/s1

InChI Key

RESRFQPNDIJCGH-SECBINFHSA-N

MDL Number (MFCD)

MFCD09982519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.187

Distribution Coefficient, logD

-1.259

Water Solubility, LogSw

-0.32

Polar Surface Area

64.055

Acid Dissociation Constant (pKa)

19.75

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

D087-0502 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D087-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D087-0502?
Check Price and Availability of D087-0502, 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 D087-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D087-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D087-0502
  • 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 D087-0502 available by request