D633-0003 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

D633-0003 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
D633-0003 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D633-0003
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(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

D633-0003

Molecular Formula

C16H13N5O3 (C16 H13 N5 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(cc1)ccc1-n1nnnc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C16H13N5O3/c22-16(11-1-4-13(5-2-11)21-10-17-19-20-21)18-12-3-6-14-15(9-12)24-8-7-23-14/h1-6,9-10H,7-8H2,(H,18,22)

InChI Key

LLUCITYTOLANSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03479665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.31

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

1.251

Distribution Coefficient, logD

1.249

Water Solubility, LogSw

-2.32

Polar Surface Area

78.918

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D633-0003 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • 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 D633-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D633-0003?
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What is the minimum amount of D633-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D633-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D633-0003
  • 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 D633-0003 available by request