C301-1581 Screening compound: N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-yl]acetamide

C301-1581 Screening compound: N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-yl]acetamide
C301-1581 Screening compound: N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-1581
N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-yl]acetamide

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

C301-1581

Molecular Formula

C21H26ClN5O (C21 H26 ClN5 O)

Compound Name

N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2H-1,2,3,4-tetrazol-2-yl)adamantan-1-yl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2H-1234-tetrazol-2-yl)adamantan-1-yl]acetamide

SMILES

Cc1nn(C2(CC(C3)C4)CC4(CC(Nc4cc(Cl)c(C)cc4)=O)CC3C2)nn1

InChI

InChI=1S/C21H26ClN5O/c1-13-3-4-17(6-18(13)22)23-19(28)11-20-7-15-5-16(8-20)10-21(9-15,12-20)27-25-14(2)24-26-27/h3-4,6,15-16H,5,7-12H2,1-2H3,(H,23,28)

InChI Key

BNIKBLBYQYVLRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.782

Water Solubility, LogSw

-4.81

Polar Surface Area

60.325

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

C301-1581 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-1581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-1581?
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What is the minimum amount of C301-1581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-1581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-1581
  • 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 C301-1581 available by request