D633-0119 Screening compound: ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine-1-carboxylate

D633-0119 Screening compound: ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine-1-carboxylate
D633-0119 Screening compound: ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D633-0119
ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]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

D633-0119

Molecular Formula

C15H18N6O3 (C15 H18 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(c(cc1)ccc1-n1nnnc1)=O)=O

InChI

InChI=1S/C15H18N6O3/c1-2-24-15(23)20-9-7-19(8-10-20)14(22)12-3-5-13(6-4-12)21-11-16-17-18-21/h3-6,11H,2,7-10H2,1H3

InChI Key

CXFUGSXSCVIDCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13968956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.898

Distribution Coefficient, logD

0.898

Water Solubility, LogSw

-1.64

Polar Surface Area

79.432

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D633-0119 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 D633-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D633-0119?
Check Price and Availability of D633-0119, 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 D633-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D633-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D633-0119
  • 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 D633-0119 available by request