8018-5631 Screening compound: N-(2,4-dimethylphenyl)-2-[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

8018-5631 Screening compound: N-(2,4-dimethylphenyl)-2-[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]acetamide
8018-5631 Screening compound: N-(2,4-dimethylphenyl)-2-[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5631
N-(2,4-dimethylphenyl)-2-[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-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

8018-5631

Molecular Formula

C16H16N6O (C16 H16 N6 O)

Compound Name

N-(2,4-dimethylphenyl)-2-[5-(pyridin-4-yl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

IUPAC name

N-(24-dimethylphenyl)-2-[5-(pyridin-4-yl)-2H-1234-tetrazol-2-yl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(Cn1nnc(-c2ccncc2)n1)=O

InChI

InChI=1S/C16H16N6O/c1-11-3-4-14(12(2)9-11)18-15(23)10-22-20-16(19-21-22)13-5-7-17-8-6-13/h3-9H,10H2,1-2H3,(H,18,23)

InChI Key

BVCZWSAQOYMDOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03114100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

2.032

Water Solubility, LogSw

-2.30

Polar Surface Area

70.221

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

4.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8018-5631 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-5631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5631?
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What is the minimum amount of 8018-5631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5631
  • 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 8018-5631 available by request