D047-0067 Screening compound: 1-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

D047-0067 Screening compound: 1-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
D047-0067 Screening compound: 1-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0067
1-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

D047-0067

Molecular Formula

C19H19N7O3S (C19 H19 N7 O3 S)

Compound Name

1-{1-[4-(1H-1,2,3,4-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

1-{1-[4-(1H-1234-tetrazol-1-yl)benzenesulfonyl]piperidin-4-yl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1N(C(CC2)CCN2S(c(cc2)ccc2-n2nnnc2)(=O)=O)c(cccc2)c2N1

InChI

InChI=1S/C19H19N7O3S/c27-19-21-17-3-1-2-4-18(17)26(19)15-9-11-24(12-10-15)30(28,29)16-7-5-14(6-8-16)25-13-20-22-23-25/h1-8,13,15H,9-12H2,(H,21,27)

InChI Key

HVOVHYBGCGROOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.51

Polar Surface Area

97.568

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D047-0067 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Targeted Diversity Library (40567 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 D047-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0067?
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What is the minimum amount of D047-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0067
  • 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 D047-0067 available by request