8019-6829 Screening compound: methyl 3-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate

8019-6829 Screening compound: methyl 3-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate
8019-6829 Screening compound: methyl 3-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6829
methyl 3-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate

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

8019-6829

Molecular Formula

C18H20N2O6S2 (C18 H20 N2 O6 S2)

Compound Name

methyl 3-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate

IUPAC name

methyl 3-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate

SMILES

COC(c(scc1)c1S(N1CCN(Cc(cc2)cc3c2OCO3)CC1)(=O)=O)=O

InChI

InChI=1S/C18H20N2O6S2/c1-24-18(21)17-16(4-9-27-17)28(22,23)20-7-5-19(6-8-20)11-13-2-3-14-15(10-13)26-12-25-14/h2-4,9-10H,5-8,11-12H2,1H3

InChI Key

JFDHXEWMYOKOPX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.74

Polar Surface Area

74.798

Acid Dissociation Constant (pKa)

28.52

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8019-6829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6829?
Check Price and Availability of 8019-6829, 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 8019-6829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6829
  • 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 8019-6829 available by request