D047-0019 Screening compound: 1-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine

D047-0019 Screening compound: 1-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine
D047-0019 Screening compound: 1-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0019
1-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine

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

D047-0019

Molecular Formula

C12H16N6O3S (C12 H16 N6 O3 S)

Compound Name

1-[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine

IUPAC name

1-[3-methoxy-4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]piperazine

SMILES

COc(cc(cc1)S(N2CCNCC2)(=O)=O)c1-n1nnnc1

InChI

InChI=1S/C12H16N6O3S/c1-21-12-8-10(2-3-11(12)18-9-14-15-16-18)22(19,20)17-6-4-13-5-7-17/h2-3,8-9,13H,4-7H2,1H3

InChI Key

HUSWXWIIMNXDJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811458

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

324.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.250

Distribution Coefficient, logD

-0.085

Water Solubility, LogSw

-2.52

Polar Surface Area

91.005

Acid Dissociation Constant (pKa)

27.09

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

D047-0019 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D047-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0019?
Check Price and Availability of D047-0019, 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 D047-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0019
  • 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 D047-0019 available by request