D633-0132 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

D633-0132 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
D633-0132 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D633-0132
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

D633-0132

Molecular Formula

C16H19N5O (C16 H19 N5 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(1H-1234-tetrazol-1-yl)benzamide

SMILES

O=C(c(cc1)ccc1-n1nnnc1)NCCC1=CCCCC1

InChI

InChI=1S/C16H19N5O/c22-16(17-11-10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)21-12-18-19-20-21/h4,6-9,12H,1-3,5,10-11H2,(H,17,22)

InChI Key

JVBICTDDGRKCAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11742232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-2.75

Polar Surface Area

64.451

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D633-0132 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 D633-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D633-0132?
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What is the minimum amount of D633-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D633-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D633-0132
  • 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 D633-0132 available by request