C301-3476 Screening compound: 1-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantane-1-carbonyl]-4-(pyridin-2-yl)piperazine

C301-3476 Screening compound: 1-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantane-1-carbonyl]-4-(pyridin-2-yl)piperazine
C301-3476 Screening compound: 1-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantane-1-carbonyl]-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3476
1-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantane-1-carbonyl]-4-(pyridin-2-yl)piperazine

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

C301-3476

Molecular Formula

C22H29N7O (C22 H29 N7 O)

Compound Name

1-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantane-1-carbonyl]-4-(pyridin-2-yl)piperazine

IUPAC name

1-[3-(5-methyl-2H-1234-tetrazol-2-yl)adamantane-1-carbonyl]-4-(pyridin-2-yl)piperazine

SMILES

Cc1nn(C(CC(C2)C3)(CC2C2)CC23C(N(CC2)CCN2c2ncccc2)=O)nn1

InChI

InChI=1S/C22H29N7O/c1-16-24-26-29(25-16)22-13-17-10-18(14-22)12-21(11-17,15-22)20(30)28-8-6-27(7-9-28)19-4-2-3-5-23-19/h2-5,17-18H,6-15H2,1H3

InChI Key

ZMOGAAXDCIPUTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.07

Polar Surface Area

65.867

Acid Dissociation Constant (pKa)

24.22

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

C301-3476 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-3476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3476?
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What is the minimum amount of C301-3476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3476
  • 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 C301-3476 available by request