D216-0240 Screening compound: ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine-1-carboxylate

D216-0240 Screening compound: ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine-1-carboxylate
D216-0240 Screening compound: ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0240
ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperazine-1-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

D216-0240

Molecular Formula

C14H18N6O4S (C14 H18 N6 O4 S)

Compound Name

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

IUPAC name

ethyl 4-[4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c(cc1)ccc1-n1nnnc1)(=O)=O)=O

InChI

InChI=1S/C14H18N6O4S/c1-2-24-14(21)18-7-9-19(10-8-18)25(22,23)13-5-3-12(4-6-13)20-11-15-16-17-20/h3-6,11H,2,7-10H2,1H3

InChI Key

MGXBKZFFVMXLME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.169

Distribution Coefficient, logD

1.169

Water Solubility, LogSw

-2.51

Polar Surface Area

94.495

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D216-0240 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 D216-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0240?
Check Price and Availability of D216-0240, 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 D216-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0240
  • 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 D216-0240 available by request