D632-0056 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(1H-1,2,3,4-tetrazol-1-yl)benzamide

D632-0056 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(1H-1,2,3,4-tetrazol-1-yl)benzamide
D632-0056 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D632-0056
N-(2H-1,3-benzodioxol-5-yl)-3-(1H-1,2,3,4-tetrazol-1-yl)benzamide

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

D632-0056

Molecular Formula

C15H11N5O3 (C15 H11 N5 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c1cc(-n2nnnc2)ccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C15H11N5O3/c21-15(17-11-4-5-13-14(7-11)23-9-22-13)10-2-1-3-12(6-10)20-8-16-18-19-20/h1-8H,9H2,(H,17,21)

InChI Key

VLEHWDPGCUPMKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02749004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

2.092

Water Solubility, LogSw

-3.08

Polar Surface Area

80.210

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D632-0056 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 D632-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D632-0056?
Check Price and Availability of D632-0056, 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 D632-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D632-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D632-0056
  • 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 D632-0056 available by request