D632-0053 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide

D632-0053 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide
D632-0053 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D632-0053
3-(1H-1,2,3,4-tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)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

D632-0053

Molecular Formula

C17H17N5O (C17 H17 N5 O)

Compound Name

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

IUPAC name

3-(1H-1234-tetrazol-1-yl)-N-(246-trimethylphenyl)benzamide

SMILES

Cc(cc1C)cc(C)c1NC(c1cc(-n2nnnc2)ccc1)=O

InChI

InChI=1S/C17H17N5O/c1-11-7-12(2)16(13(3)8-11)19-17(23)14-5-4-6-15(9-14)22-10-18-20-21-22/h4-10H,1-3H3,(H,19,23)

InChI Key

CUPQRYIPBYGUJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12925953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.93

Polar Surface Area

61.699

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D632-0053 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 D632-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D632-0053?
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What is the minimum amount of D632-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D632-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D632-0053
  • 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 D632-0053 available by request